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[smlnj] Annotation of /sml/trunk/benchmarks/programs/nucleic/nucleic.sml
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Annotation of /sml/trunk/benchmarks/programs/nucleic/nucleic.sml

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1 : monnier 193 (* File: "nucleic.sml" *)
2 :    
3 :     structure Nucleic : sig
4 :    
5 :     val anticodon_length : unit -> int
6 :    
7 :     end = struct
8 :    
9 :     type float = real
10 :     type intg = int
11 :    
12 :     (* -- MATH UTILITIES --------------------------------------------------------*)
13 :    
14 :     val constant_pi = 3.14159265358979323846
15 :     val constant_minus_pi = ~3.14159265358979323846
16 :     val constant_pi2 = 1.57079632679489661923
17 :     val constant_minus_pi2 = ~1.57079632679489661923
18 :    
19 :     fun math_atan2 y x =
20 :     if (x > 0.0)
21 :     then Math.atan (y / x)
22 :     else if Real.==(x, 0.0)
23 :     then if y < 0.0
24 :     then constant_minus_pi2
25 :     else Math.atan (y / x) + constant_minus_pi
26 :     else if Real.==(x, 0.0)
27 :     then constant_pi2
28 :     else (Math.atan (y / x) + constant_pi)
29 :    
30 :     (* -- POINTS ----------------------------------------------------------------*)
31 :    
32 :     type pt = float * float * float
33 :    
34 :     fun pt_sub ((x1,y1,z1):pt) (x2,y2,z2)
35 :     = (x1 - x2, y1 - y2, z1 - z2)
36 :    
37 :     fun pt_dist (x1,y1,z1) (x2,y2,z2) = let
38 :     val dx = x1 - x2
39 :     val dy = y1 - y2
40 :     val dz = z1 - z2
41 :     in
42 :     Math.sqrt ((dx * dx) + (dy * dy) + (dz * dz))
43 :     end
44 :    
45 :     fun pt_phi (x,y,z) = let
46 :     val b = math_atan2 x z
47 :     in
48 :     math_atan2
49 :     (((Math.cos b) * z + ((Math.sin b) * x))) y
50 :     end
51 :    
52 :     fun pt_theta (x,y,z) = math_atan2 x z
53 :    
54 :     (* -- COORDINATE TRANSFORMATIONS --------------------------------------------*)
55 :    
56 :     (* The notation for the transformations follows "Paul, R.P. (1981) Robot
57 :     || Manipulators. MIT Press." with the exception that our transformation
58 :     || matrices don't have the perspective terms and are the transpose of
59 :     || Paul's one. See also "M\"antyl\"a, M. (1985) An Introduction to
60 :     || Solid Modeling, Computer Science Press" Appendix A.
61 :     ||
62 :     || The components of a transformation matrix are named like this:
63 :     ||
64 :     || a b c
65 :     || d e f
66 :     || g h i
67 :     || tx ty tz
68 :     ||
69 :     || The components tx, ty, and tz are the translation vector.
70 :     *)
71 :    
72 :     type tfo
73 :     = float*float*float*float*float*float*float*float*float*float*float*float
74 :    
75 :     val tfo_id = (1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0)
76 :    
77 :     (* The function "tfo-apply" multiplies a transformation matrix, tfo, by a
78 :     || point vector, p. The result is a new point.
79 :     ||
80 :     || Note: in the measured program, this function was coded in assembler.
81 :     *)
82 :    
83 :     fun
84 :     tfo_apply (a,b,c,d,e,f,g,h,i,tx,ty,tz) (x:real,y:real,z:real)
85 :     = (
86 :     ((x * a) +
87 :     (y * d) +
88 :     (z * g) +
89 :     tx)
90 :     ,
91 :     ((x * b) +
92 :     (y * e) +
93 :     (z * h) +
94 :     ty)
95 :     ,
96 :     ((x * c) +
97 :     (y * f) +
98 :     (z * i) +
99 :     tz)
100 :     )
101 :    
102 :     (* The function "tfo-combine" multiplies two transformation matrices A and B.
103 :     || The result is a new matrix which cumulates the transformations described
104 :     || by A and B.
105 :     ||
106 :     || Note: in the measured program, this function was coded in assembler.
107 :     *)
108 :    
109 :     fun
110 :     tfo_combine
111 :     (a_a:real,a_b:real,a_c:real,a_d:real,a_e:real,a_f:real,a_g:real,a_h:real,a_i:real,a_tx:real,a_ty:real,a_tz:real)
112 :     (b_a:real,b_b:real,b_c:real,b_d:real,b_e:real,b_f:real,b_g:real,b_h:real,b_i:real,b_tx:real,b_ty:real,b_tz:real)
113 :     = (
114 :     ((a_a * b_a) +
115 :     (a_b * b_d) +
116 :     (a_c * b_g))
117 :     ,
118 :     ((a_a * b_b) +
119 :     (a_b * b_e) +
120 :     (a_c * b_h))
121 :     ,
122 :     ((a_a * b_c) +
123 :     (a_b * b_f) +
124 :     (a_c * b_i))
125 :     ,
126 :     ((a_d * b_a) +
127 :     (a_e * b_d) +
128 :     (a_f * b_g))
129 :     ,
130 :     ((a_d * b_b) +
131 :     (a_e * b_e) +
132 :     (a_f * b_h))
133 :     ,
134 :     ((a_d * b_c) +
135 :     (a_e * b_f) +
136 :     (a_f * b_i))
137 :     ,
138 :     ((a_g * b_a) +
139 :     (a_h * b_d) +
140 :     (a_i * b_g))
141 :     ,
142 :     ((a_g * b_b) +
143 :     (a_h * b_e) +
144 :     (a_i * b_h))
145 :     ,
146 :     ((a_g * b_c) +
147 :     (a_h * b_f) +
148 :     (a_i * b_i))
149 :     ,
150 :     ((a_tx * b_a) +
151 :     (a_ty * b_d) +
152 :     (a_tz * b_g) +
153 :     b_tx)
154 :     ,
155 :     ((a_tx * b_b) +
156 :     (a_ty * b_e) +
157 :     (a_tz * b_h) +
158 :     b_ty)
159 :     ,
160 :     ((a_tx * b_c) +
161 :     (a_ty * b_f) +
162 :     (a_tz * b_i) +
163 :     b_tz)
164 :     )
165 :    
166 :     (* The function "tfo-inv-ortho" computes the inverse of a homogeneous
167 :     || transformation matrix.
168 :     *)
169 :    
170 :     fun
171 :     tfo_inv_ortho ((a,b,c,d,e,f,g,h,i,tx,ty,tz):tfo)
172 :     = (
173 :     a,d,g,
174 :     b,e,h,
175 :     c,f,i,
176 :     (~((a * tx) +
177 :     (b * ty) +
178 :     (c * tz)))
179 :     ,
180 :     (~ ((d * tx) +
181 :     (e * ty) +
182 :     (f * tz)))
183 :     ,
184 :     (~ ((g * tx) +
185 :     (h * ty) +
186 :     (i * tz)))
187 :     )
188 :    
189 :     (* Given three points p1, p2, and p3, the function "tfo-align" computes
190 :     || a transformation matrix such that point p1 gets mapped to (0,0,0), p2 gets
191 :     || mapped to the Y axis and p3 gets mapped to the YZ plane.
192 :     *)
193 :    
194 :     fun tfo_align (x1:real,y1:real,z1:real) (x2:real,y2:real,z2:real) (x3,y3,z3)
195 :     = let
196 :     val x31 = x3 - x1
197 :     val y31 = y3 - y1
198 :     val z31 = z3 - z1
199 :     val rotpy = pt_sub (x2,y2,z2) (x1,y1,z1)
200 :     val phi = pt_phi rotpy
201 :     val theta = pt_theta rotpy
202 :     val sinp = Math.sin phi
203 :     val sint = Math.sin theta
204 :     val cosp = Math.cos phi
205 :     val cost = Math.cos theta
206 :     val sinpsint = sinp * sint
207 :     val sinpcost = sinp * cost
208 :     val cospsint = cosp * sint
209 :     val cospcost = cosp * cost
210 :     val rotpz = (
211 :     ((cost * x31) -
212 :     (sint * z31))
213 :     ,
214 :     ((sinpsint * x31) +
215 :     (cosp * y31) +
216 :     (sinpcost * z31))
217 :     ,
218 :     ((cospsint * x31) +
219 :     (~ (sinp * y31)) +
220 :     (cospcost * z31))
221 :     )
222 :     val rho = pt_theta rotpz
223 :     val cosr = Math.cos rho
224 :     val sinr = Math.sin rho
225 :     val x = (~ (x1 * cost)) + (z1 * sint)
226 :     val y = ((~ (x1 * sinpsint)) - (y1 * cosp)) -
227 :     (z1 * sinpcost)
228 :     val z = ((~ (x1 * cospsint) + (y1 * sinp))) -
229 :     (z1 * cospcost)
230 :     in
231 :     (
232 :     ((cost * cosr) - (cospsint * sinr))
233 :     ,
234 :     sinpsint
235 :     ,
236 :     ((cost * sinr + (cospsint * cosr)))
237 :     ,
238 :     (sinp * sinr)
239 :     ,
240 :     cosp
241 :     ,
242 :     (~ (sinp * cosr))
243 :     ,
244 :     ((~ (sint * cosr)) - (cospcost * sinr))
245 :     ,
246 :     sinpcost
247 :     ,
248 :     ((~ (sint * sinr) + (cospcost * cosr)))
249 :     ,
250 :     ((x * cosr) - (z * sinr))
251 :     ,
252 :     y
253 :     ,
254 :     ((x * sinr + (z * cosr)))
255 :     )
256 :     end
257 :    
258 :     (* -- NUCLEIC ACID CONFORMATIONS DATA BASE ----------------------------------*)
259 :    
260 :     (* Numbering of atoms follows the paper:
261 :     ||
262 :     || IUPAC-IUB Joint Commission on Biochemical Nomenclature (JCBN)
263 :     || (1983) Abbreviations and Symbols for the Description of
264 :     || Conformations of Polynucleotide Chains. Eur. J. Biochem 131,
265 :     || 9-15.
266 :     ||
267 :     || In the atom names, we have used "*" instead of "'".
268 :     *)
269 :    
270 :     (* Define remaining atoms for each nucleotide type. *)
271 :    
272 :     datatype nuc_specific
273 :     = A of pt*pt*pt*pt*pt*pt*pt*pt
274 :     | C of pt*pt*pt*pt*pt*pt
275 :     | G of pt*pt*pt*pt*pt*pt*pt*pt*pt
276 :     | U of pt*pt*pt*pt*pt
277 :    
278 :     (* A N6 N7 N9 C8 H2 H61 H62 H8
279 :     || C N4 O2 H41 H42 H5 H6
280 :     || G N2 N7 N9 C8 O6 H1 H21 H22 H8
281 :     || U O2 O4 H3 H5 H6
282 :     *)
283 :    
284 :     (* Define part common to all 4 nucleotide types. *)
285 :    
286 :     type nuc = tfo*tfo*tfo*tfo*
287 :     pt*pt*pt*pt*pt*pt*pt*pt*pt*pt*pt*pt*
288 :     pt*pt*pt*pt*pt*pt*pt*pt*pt*pt*pt*pt*
289 :     pt*nuc_specific
290 :    
291 :     (* dgf-base-tfo ; defines the standard position for wc and wc-dumas
292 :     || P-O3*-275-tfo ; defines the standard position for the connect function
293 :     || P-O3*-180-tfo
294 :     || P-O3*-60-tfo
295 :     || P O1P O2P O5* C5* H5* H5** C4* H4* O4* C1* H1* C2* H2** O2* H2* C3*
296 :     || H3* O3* N1 N3 C2 C4 C5 C6)
297 :     *)
298 :    
299 :     fun
300 :     is_A (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
301 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
302 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,A _)
303 :     = true
304 :     |
305 :     is_A x
306 :     = false
307 :    
308 :     fun
309 :     is_C (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
310 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
311 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,C _)
312 :     = true
313 :     |
314 :     is_C x
315 :     = false
316 :    
317 :     fun
318 :     is_G (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
319 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
320 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,G _)
321 :     = true
322 :     |
323 :     is_G x
324 :     = false
325 :    
326 :     fun
327 :     is_U (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
328 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
329 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,U _)
330 :     = true
331 :     |
332 :     is_U x
333 :     = false
334 :    
335 :     fun
336 :     nuc_C1'
337 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
338 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
339 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,_)
340 :     = c1'
341 :    
342 :     fun
343 :     nuc_C2
344 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
345 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
346 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,_)
347 :     = c2
348 :    
349 :     fun
350 :     nuc_C3'
351 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
352 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
353 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,_)
354 :     = c3'
355 :    
356 :     fun
357 :     nuc_C4
358 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
359 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
360 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,_)
361 :     = c4
362 :    
363 :     fun
364 :     nuc_C4'
365 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
366 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
367 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,_)
368 :     = c4'
369 :    
370 :     fun
371 :     nuc_N1
372 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
373 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
374 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,_)
375 :     = n1
376 :    
377 :     fun
378 :     nuc_O3'
379 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
380 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
381 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,_)
382 :     = o3'
383 :    
384 :     fun
385 :     nuc_P
386 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
387 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
388 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,_)
389 :     = p
390 :    
391 :     fun
392 :     nuc_dgf_base_tfo
393 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
394 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
395 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,_)
396 :     = dgf_base_tfo
397 :    
398 :     fun
399 :     nuc_p_o3'_180_tfo
400 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
401 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
402 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,_)
403 :     = p_o3'_180_tfo
404 :    
405 :     fun
406 :     nuc_p_o3'_275_tfo
407 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
408 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
409 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,_)
410 :     = p_o3'_275_tfo
411 :    
412 :     fun
413 :     nuc_p_o3'_60_tfo
414 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
415 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
416 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,_)
417 :     = p_o3'_60_tfo
418 :    
419 :     fun
420 :     rA_N9
421 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
422 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
423 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,A (n6,n7,n9,c8,h2,h61,h62,h8))
424 :     = n9
425 :    
426 :     fun
427 :     rG_N9
428 :     (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
429 :     p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
430 :     c3',h3',o3',n1,n3,c2,c4,c5,c6,G (n2,n7,n9,c8,o6,h1,h21,h22,h8))
431 :     = n9
432 :    
433 :     (* Database of nucleotide conformations: *)
434 :    
435 :     val rA
436 :     = (
437 :     ( (~0.0018), (~0.8207), (0.5714), (* dgf-base-tfo *)
438 :     (0.2679), (~0.5509), (~0.7904),
439 :     (0.9634), (0.1517), (0.2209),
440 :     (0.0073), (8.4030), (0.6232)),
441 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
442 :     (~0.0433), (~0.4257), (0.9038),
443 :     (~0.5788), (0.7480), (0.3246),
444 :     (1.5227), (6.9114), (~7.0765)),
445 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
446 :     (0.4552), (0.6637), (0.5935),
447 :     (~0.8042), (0.0203), (0.5941),
448 :     (~6.9472), (~4.1186), (~5.9108)),
449 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
450 :     (~0.8247), (0.5587), (~0.0878),
451 :     (0.0426), (0.2162), (0.9754),
452 :     (6.2694), (~7.0540), (3.3316)),
453 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
454 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
455 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
456 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
457 :     ( (5.4550), (8.2120), (~2.8810)), (* C5' *)
458 :     ( (5.4546), (8.8508), (~1.9978)), (* H5' *)
459 :     ( (5.7588), (8.6625), (~3.8259)), (* H5'' *)
460 :     ( (6.4970), (7.1480), (~2.5980)), (* C4' *)
461 :     ( (7.4896), (7.5919), (~2.5214)), (* H4' *)
462 :     ( (6.1630), (6.4860), (~1.3440)), (* O4' *)
463 :     ( (6.5400), (5.1200), (~1.4190)), (* C1' *)
464 :     ( (7.2763), (4.9681), (~0.6297)), (* H1' *)
465 :     ( (7.1940), (4.8830), (~2.7770)), (* C2' *)
466 :     ( (6.8667), (3.9183), (~3.1647)), (* H2'' *)
467 :     ( (8.5860), (5.0910), (~2.6140)), (* O2' *)
468 :     ( (8.9510), (4.7626), (~1.7890)), (* H2' *)
469 :     ( (6.5720), (6.0040), (~3.6090)), (* C3' *)
470 :     ( (5.5636), (5.7066), (~3.8966)), (* H3' *)
471 :     ( (7.3801), (6.3562), (~4.7350)), (* O3' *)
472 :     ( (4.7150), (0.4910), (~0.1360)), (* N1 *)
473 :     ( (6.3490), (2.1730), (~0.6020)), (* N3 *)
474 :     ( (5.9530), (0.9650), (~0.2670)), (* C2 *)
475 :     ( (5.2900), (2.9790), (~0.8260)), (* C4 *)
476 :     ( (3.9720), (2.6390), (~0.7330)), (* C5 *)
477 :     ( (3.6770), (1.3160), (~0.3660)), (* C6 *)
478 :     (A (
479 :     ( (2.4280), (0.8450), (~0.2360)), (* N6 *)
480 :     ( (3.1660), (3.7290), (~1.0360)), (* N7 *)
481 :     ( (5.3170), (4.2990), (~1.1930)), (* N9 *)
482 :     ( (4.0100), (4.6780), (~1.2990)), (* C8 *)
483 :     ( (6.6890), (0.1903), (~0.0518)), (* H2 *)
484 :     ( (1.6470), (1.4460), (~0.4040)), (* H61 *)
485 :     ( (2.2780), (~0.1080), (~0.0280)), (* H62 *)
486 :     ( (3.4421), (5.5744), (~1.5482))) (* H8 *)
487 :     )
488 :     )
489 :    
490 :     val rA01
491 :     = (
492 :     ( (~0.0043), (~0.8175), (0.5759), (* dgf-base-tfo *)
493 :     (0.2617), (~0.5567), (~0.7884),
494 :     (0.9651), (0.1473), (0.2164),
495 :     (0.0359), (8.3929), (0.5532)),
496 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
497 :     (~0.0433), (~0.4257), (0.9038),
498 :     (~0.5788), (0.7480), (0.3246),
499 :     (1.5227), (6.9114), (~7.0765)),
500 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
501 :     (0.4552), (0.6637), (0.5935),
502 :     (~0.8042), (0.0203), (0.5941),
503 :     (~6.9472), (~4.1186), (~5.9108)),
504 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
505 :     (~0.8247), (0.5587), (~0.0878),
506 :     (0.0426), (0.2162), (0.9754),
507 :     (6.2694), (~7.0540), (3.3316)),
508 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
509 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
510 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
511 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
512 :     ( (5.4352), (8.2183), (~2.7757)), (* C5' *)
513 :     ( (5.3830), (8.7883), (~1.8481)), (* H5' *)
514 :     ( (5.7729), (8.7436), (~3.6691)), (* H5'' *)
515 :     ( (6.4830), (7.1518), (~2.5252)), (* C4' *)
516 :     ( (7.4749), (7.5972), (~2.4482)), (* H4' *)
517 :     ( (6.1626), (6.4620), (~1.2827)), (* O4' *)
518 :     ( (6.5431), (5.0992), (~1.3905)), (* C1' *)
519 :     ( (7.2871), (4.9328), (~0.6114)), (* H1' *)
520 :     ( (7.1852), (4.8935), (~2.7592)), (* C2' *)
521 :     ( (6.8573), (3.9363), (~3.1645)), (* H2'' *)
522 :     ( (8.5780), (5.1025), (~2.6046)), (* O2' *)
523 :     ( (8.9516), (4.7577), (~1.7902)), (* H2' *)
524 :     ( (6.5522), (6.0300), (~3.5612)), (* C3' *)
525 :     ( (5.5420), (5.7356), (~3.8459)), (* H3' *)
526 :     ( (7.3487), (6.4089), (~4.6867)), (* O3' *)
527 :     ( (4.7442), (0.4514), (~0.1390)), (* N1 *)
528 :     ( (6.3687), (2.1459), (~0.5926)), (* N3 *)
529 :     ( (5.9795), (0.9335), (~0.2657)), (* C2 *)
530 :     ( (5.3052), (2.9471), (~0.8125)), (* C4 *)
531 :     ( (3.9891), (2.5987), (~0.7230)), (* C5 *)
532 :     ( (3.7016), (1.2717), (~0.3647)), (* C6 *)
533 :     (A (
534 :     ( (2.4553), (0.7925), (~0.2390)), (* N6 *)
535 :     ( (3.1770), (3.6859), (~1.0198)), (* N7 *)
536 :     ( (5.3247), (4.2695), (~1.1710)), (* N9 *)
537 :     ( (4.0156), (4.6415), (~1.2759)), (* C8 *)
538 :     ( (6.7198), (0.1618), (~0.0547)), (* H2 *)
539 :     ( (1.6709), (1.3900), (~0.4039)), (* H61 *)
540 :     ( (2.3107), (~0.1627), (~0.0373)), (* H62 *)
541 :     ( (3.4426), (5.5361), (~1.5199))) (* H8 *)
542 :     )
543 :     )
544 :    
545 :     val rA02
546 :     = (
547 :     ( (0.5566), (0.0449), (0.8296), (* dgf-base-tfo *)
548 :     (0.5125), (0.7673), (~0.3854),
549 :     (~0.6538), (0.6397), (0.4041),
550 :     (~9.1161), (~3.7679), (~2.9968)),
551 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
552 :     (~0.0433), (~0.4257), (0.9038),
553 :     (~0.5788), (0.7480), (0.3246),
554 :     (1.5227), (6.9114), (~7.0765)),
555 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
556 :     (0.4552), (0.6637), (0.5935),
557 :     (~0.8042), (0.0203), (0.5941),
558 :     (~6.9472), (~4.1186), (~5.9108)),
559 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
560 :     (~0.8247), (0.5587), (~0.0878),
561 :     (0.0426), (0.2162), (0.9754),
562 :     (6.2694), (~7.0540), (3.3316)),
563 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
564 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
565 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
566 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
567 :     ( (4.5778), (6.6594), (~4.0364)), (* C5' *)
568 :     ( (4.9220), (7.1963), (~4.9204)), (* H5' *)
569 :     ( (3.7996), (5.9091), (~4.1764)), (* H5'' *)
570 :     ( (5.7873), (5.8869), (~3.5482)), (* C4' *)
571 :     ( (6.0405), (5.0875), (~4.2446)), (* H4' *)
572 :     ( (6.9135), (6.8036), (~3.4310)), (* O4' *)
573 :     ( (7.7293), (6.4084), (~2.3392)), (* C1' *)
574 :     ( (8.7078), (6.1815), (~2.7624)), (* H1' *)
575 :     ( (7.1305), (5.1418), (~1.7347)), (* C2' *)
576 :     ( (7.2040), (5.1982), (~0.6486)), (* H2'' *)
577 :     ( (7.7417), (4.0392), (~2.3813)), (* O2' *)
578 :     ( (8.6785), (4.1443), (~2.5630)), (* H2' *)
579 :     ( (5.6666), (5.2728), (~2.1536)), (* C3' *)
580 :     ( (5.1747), (5.9805), (~1.4863)), (* H3' *)
581 :     ( (4.9997), (4.0086), (~2.1973)), (* O3' *)
582 :     ( (10.3245), (8.5459), (1.5467)), (* N1 *)
583 :     ( (9.8051), (6.9432), (~0.1497)), (* N3 *)
584 :     ( (10.5175), (7.4328), (0.8408)), (* C2 *)
585 :     ( (8.7523), (7.7422), (~0.4228)), (* C4 *)
586 :     ( (8.4257), (8.9060), (0.2099)), (* C5 *)
587 :     ( (9.2665), (9.3242), (1.2540)), (* C6 *)
588 :     (A (
589 :     ( (9.0664), (10.4462), (1.9610)), (* N6 *)
590 :     ( (7.2750), (9.4537), (~0.3428)), (* N7 *)
591 :     ( (7.7962), (7.5519), (~1.3859)), (* N9 *)
592 :     ( (6.9479), (8.6157), (~1.2771)), (* C8 *)
593 :     ( (11.4063), (6.9047), (1.1859)), (* H2 *)
594 :     ( (8.2845), (11.0341), (1.7552)), (* H61 *)
595 :     ( (9.6584), (10.6647), (2.7198)), (* H62 *)
596 :     ( (6.0430), (8.9853), (~1.7594))) (* H8 *)
597 :     )
598 :     )
599 :    
600 :     val rA03
601 :     = (
602 :     ( (~0.5021), (0.0731), (0.8617), (* dgf-base-tfo *)
603 :     (~0.8112), (0.3054), (~0.4986),
604 :     (~0.2996), (~0.9494), (~0.0940),
605 :     (6.4273), (~5.1944), (~3.7807)),
606 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
607 :     (~0.0433), (~0.4257), (0.9038),
608 :     (~0.5788), (0.7480), (0.3246),
609 :     (1.5227), (6.9114), (~7.0765)),
610 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
611 :     (0.4552), (0.6637), (0.5935),
612 :     (~0.8042), (0.0203), (0.5941),
613 :     (~6.9472), (~4.1186), (~5.9108)),
614 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
615 :     (~0.8247), (0.5587), (~0.0878),
616 :     (0.0426), (0.2162), (0.9754),
617 :     (6.2694), (~7.0540), (3.3316)),
618 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
619 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
620 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
621 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
622 :     ( (4.1214), (6.7116), (~1.9049)), (* C5' *)
623 :     ( (3.3465), (5.9610), (~2.0607)), (* H5' *)
624 :     ( (4.0789), (7.2928), (~0.9837)), (* H5'' *)
625 :     ( (5.4170), (5.9293), (~1.8186)), (* C4' *)
626 :     ( (5.4506), (5.3400), (~0.9023)), (* H4' *)
627 :     ( (5.5067), (5.0417), (~2.9703)), (* O4' *)
628 :     ( (6.8650), (4.9152), (~3.3612)), (* C1' *)
629 :     ( (7.1090), (3.8577), (~3.2603)), (* H1' *)
630 :     ( (7.7152), (5.7282), (~2.3894)), (* C2' *)
631 :     ( (8.5029), (6.2356), (~2.9463)), (* H2'' *)
632 :     ( (8.1036), (4.8568), (~1.3419)), (* O2' *)
633 :     ( (8.3270), (3.9651), (~1.6184)), (* H2' *)
634 :     ( (6.7003), (6.7565), (~1.8911)), (* C3' *)
635 :     ( (6.5898), (7.5329), (~2.6482)), (* H3' *)
636 :     ( (7.0505), (7.2878), (~0.6105)), (* O3' *)
637 :     ( (9.6740), (4.7656), (~7.6614)), (* N1 *)
638 :     ( (9.0739), (4.3013), (~5.3941)), (* N3 *)
639 :     ( (9.8416), (4.2192), (~6.4581)), (* C2 *)
640 :     ( (7.9885), (5.0632), (~5.6446)), (* C4 *)
641 :     ( (7.6822), (5.6856), (~6.8194)), (* C5 *)
642 :     ( (8.5831), (5.5215), (~7.8840)), (* C6 *)
643 :     (A (
644 :     ( (8.4084), (6.0747), (~9.0933)), (* N6 *)
645 :     ( (6.4857), (6.3816), (~6.7035)), (* N7 *)
646 :     ( (6.9740), (5.3703), (~4.7760)), (* N9 *)
647 :     ( (6.1133), (6.1613), (~5.4808)), (* C8 *)
648 :     ( (10.7627), (3.6375), (~6.4220)), (* H2 *)
649 :     ( (7.6031), (6.6390), (~9.2733)), (* H61 *)
650 :     ( (9.1004), (5.9708), (~9.7893)), (* H62 *)
651 :     ( (5.1705), (6.6830), (~5.3167))) (* H8 *)
652 :     )
653 :     )
654 :    
655 :     val rA04
656 :     = (
657 :     ( (~0.5426), (~0.8175), (0.1929), (* dgf-base-tfo *)
658 :     (0.8304), (~0.5567), (~0.0237),
659 :     (0.1267), (0.1473), (0.9809),
660 :     (~0.5075), (8.3929), (0.2229)),
661 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
662 :     (~0.0433), (~0.4257), (0.9038),
663 :     (~0.5788), (0.7480), (0.3246),
664 :     (1.5227), (6.9114), (~7.0765)),
665 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
666 :     (0.4552), (0.6637), (0.5935),
667 :     (~0.8042), (0.0203), (0.5941),
668 :     (~6.9472), (~4.1186), (~5.9108)),
669 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
670 :     (~0.8247), (0.5587), (~0.0878),
671 :     (0.0426), (0.2162), (0.9754),
672 :     (6.2694), (~7.0540), (3.3316)),
673 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
674 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
675 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
676 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
677 :     ( (5.4352), (8.2183), (~2.7757)), (* C5' *)
678 :     ( (5.3830), (8.7883), (~1.8481)), (* H5' *)
679 :     ( (5.7729), (8.7436), (~3.6691)), (* H5'' *)
680 :     ( (6.4830), (7.1518), (~2.5252)), (* C4' *)
681 :     ( (7.4749), (7.5972), (~2.4482)), (* H4' *)
682 :     ( (6.1626), (6.4620), (~1.2827)), (* O4' *)
683 :     ( (6.5431), (5.0992), (~1.3905)), (* C1' *)
684 :     ( (7.2871), (4.9328), (~0.6114)), (* H1' *)
685 :     ( (7.1852), (4.8935), (~2.7592)), (* C2' *)
686 :     ( (6.8573), (3.9363), (~3.1645)), (* H2'' *)
687 :     ( (8.5780), (5.1025), (~2.6046)), (* O2' *)
688 :     ( (8.9516), (4.7577), (~1.7902)), (* H2' *)
689 :     ( (6.5522), (6.0300), (~3.5612)), (* C3' *)
690 :     ( (5.5420), (5.7356), (~3.8459)), (* H3' *)
691 :     ( (7.3487), (6.4089), (~4.6867)), (* O3' *)
692 :     ( (3.6343), (2.6680), (2.0783)), (* N1 *)
693 :     ( (5.4505), (3.9805), (1.2446)), (* N3 *)
694 :     ( (4.7540), (3.3816), (2.1851)), (* C2 *)
695 :     ( (4.8805), (3.7951), (0.0354)), (* C4 *)
696 :     ( (3.7416), (3.0925), (~0.2305)), (* C5 *)
697 :     ( (3.0873), (2.4980), (0.8606)), (* C6 *)
698 :     (A (
699 :     ( (1.9600), (1.7805), (0.7462)), (* N6 *)
700 :     ( (3.4605), (3.1184), (~1.5906)), (* N7 *)
701 :     ( (5.3247), (4.2695), (~1.1710)), (* N9 *)
702 :     ( (4.4244), (3.8244), (~2.0953)), (* C8 *)
703 :     ( (5.0814), (3.4352), (3.2234)), (* H2 *)
704 :     ( (1.5423), (1.6454), (~0.1520)), (* H61 *)
705 :     ( (1.5716), (1.3398), (1.5392)), (* H62 *)
706 :     ( (4.2675), (3.8876), (~3.1721))) (* H8 *)
707 :     )
708 :     )
709 :    
710 :     val rA05
711 :     = (
712 :     ( (~0.5891), (0.0449), (0.8068), (* dgf-base-tfo *)
713 :     (0.5375), (0.7673), (0.3498),
714 :     (~0.6034), (0.6397), (~0.4762),
715 :     (~0.3019), (~3.7679), (~9.5913)),
716 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
717 :     (~0.0433), (~0.4257), (0.9038),
718 :     (~0.5788), (0.7480), (0.3246),
719 :     (1.5227), (6.9114), (~7.0765)),
720 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
721 :     (0.4552), (0.6637), (0.5935),
722 :     (~0.8042), (0.0203), (0.5941),
723 :     (~6.9472), (~4.1186), (~5.9108)),
724 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
725 :     (~0.8247), (0.5587), (~0.0878),
726 :     (0.0426), (0.2162), (0.9754),
727 :     (6.2694), (~7.0540), (3.3316)),
728 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
729 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
730 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
731 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
732 :     ( (4.5778), (6.6594), (~4.0364)), (* C5' *)
733 :     ( (4.9220), (7.1963), (~4.9204)), (* H5' *)
734 :     ( (3.7996), (5.9091), (~4.1764)), (* H5'' *)
735 :     ( (5.7873), (5.8869), (~3.5482)), (* C4' *)
736 :     ( (6.0405), (5.0875), (~4.2446)), (* H4' *)
737 :     ( (6.9135), (6.8036), (~3.4310)), (* O4' *)
738 :     ( (7.7293), (6.4084), (~2.3392)), (* C1' *)
739 :     ( (8.7078), (6.1815), (~2.7624)), (* H1' *)
740 :     ( (7.1305), (5.1418), (~1.7347)), (* C2' *)
741 :     ( (7.2040), (5.1982), (~0.6486)), (* H2'' *)
742 :     ( (7.7417), (4.0392), (~2.3813)), (* O2' *)
743 :     ( (8.6785), (4.1443), (~2.5630)), (* H2' *)
744 :     ( (5.6666), (5.2728), (~2.1536)), (* C3' *)
745 :     ( (5.1747), (5.9805), (~1.4863)), (* H3' *)
746 :     ( (4.9997), (4.0086), (~2.1973)), (* O3' *)
747 :     ( (10.2594), (10.6774), (~1.0056)), (* N1 *)
748 :     ( (9.7528), (8.7080), (~2.2631)), (* N3 *)
749 :     ( (10.4471), (9.7876), (~1.9791)), (* C2 *)
750 :     ( (8.7271), (8.5575), (~1.3991)), (* C4 *)
751 :     ( (8.4100), (9.3803), (~0.3580)), (* C5 *)
752 :     ( (9.2294), (10.5030), (~0.1574)), (* C6 *)
753 :     (A (
754 :     ( (9.0349), (11.3951), (0.8250)), (* N6 *)
755 :     ( (7.2891), (8.9068), (0.3121)), (* N7 *)
756 :     ( (7.7962), (7.5519), (~1.3859)), (* N9 *)
757 :     ( (6.9702), (7.8292), (~0.3353)), (* C8 *)
758 :     ( (11.3132), (10.0537), (~2.5851)), (* H2 *)
759 :     ( (8.2741), (11.2784), (1.4629)), (* H61 *)
760 :     ( (9.6733), (12.1368), (0.9529)), (* H62 *)
761 :     ( (6.0888), (7.3990), (0.1403))) (* H8 *)
762 :     )
763 :     )
764 :    
765 :     val rA06
766 :     = (
767 :     ( (~0.9815), (0.0731), (~0.1772), (* dgf-base-tfo *)
768 :     (0.1912), (0.3054), (~0.9328),
769 :     (~0.0141), (~0.9494), (~0.3137),
770 :     (5.7506), (~5.1944), (4.7470)),
771 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
772 :     (~0.0433), (~0.4257), (0.9038),
773 :     (~0.5788), (0.7480), (0.3246),
774 :     (1.5227), (6.9114), (~7.0765)),
775 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
776 :     (0.4552), (0.6637), (0.5935),
777 :     (~0.8042), (0.0203), (0.5941),
778 :     (~6.9472), (~4.1186), (~5.9108)),
779 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
780 :     (~0.8247), (0.5587), (~0.0878),
781 :     (0.0426), (0.2162), (0.9754),
782 :     (6.2694), (~7.0540), (3.3316)),
783 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
784 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
785 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
786 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
787 :     ( (4.1214), (6.7116), (~1.9049)), (* C5' *)
788 :     ( (3.3465), (5.9610), (~2.0607)), (* H5' *)
789 :     ( (4.0789), (7.2928), (~0.9837)), (* H5'' *)
790 :     ( (5.4170), (5.9293), (~1.8186)), (* C4' *)
791 :     ( (5.4506), (5.3400), (~0.9023)), (* H4' *)
792 :     ( (5.5067), (5.0417), (~2.9703)), (* O4' *)
793 :     ( (6.8650), (4.9152), (~3.3612)), (* C1' *)
794 :     ( (7.1090), (3.8577), (~3.2603)), (* H1' *)
795 :     ( (7.7152), (5.7282), (~2.3894)), (* C2' *)
796 :     ( (8.5029), (6.2356), (~2.9463)), (* H2'' *)
797 :     ( (8.1036), (4.8568), (~1.3419)), (* O2' *)
798 :     ( (8.3270), (3.9651), (~1.6184)), (* H2' *)
799 :     ( (6.7003), (6.7565), (~1.8911)), (* C3' *)
800 :     ( (6.5898), (7.5329), (~2.6482)), (* H3' *)
801 :     ( (7.0505), (7.2878), (~0.6105)), (* O3' *)
802 :     ( (6.6624), (3.5061), (~8.2986)), (* N1 *)
803 :     ( (6.5810), (3.2570), (~5.9221)), (* N3 *)
804 :     ( (6.5151), (2.8263), (~7.1625)), (* C2 *)
805 :     ( (6.8364), (4.5817), (~5.8882)), (* C4 *)
806 :     ( (7.0116), (5.4064), (~6.9609)), (* C5 *)
807 :     ( (6.9173), (4.8260), (~8.2361)), (* C6 *)
808 :     (A (
809 :     ( (7.0668), (5.5163), (~9.3763)), (* N6 *)
810 :     ( (7.2573), (6.7070), (~6.5394)), (* N7 *)
811 :     ( (6.9740), (5.3703), (~4.7760)), (* N9 *)
812 :     ( (7.2238), (6.6275), (~5.2453)), (* C8 *)
813 :     ( (6.3146), (1.7741), (~7.3641)), (* H2 *)
814 :     ( (7.2568), (6.4972), (~9.3456)), (* H61 *)
815 :     ( (7.0437), (5.0478), (~10.2446)), (* H62 *)
816 :     ( (7.4108), (7.6227), (~4.8418))) (* H8 *)
817 :     )
818 :     )
819 :    
820 :     val rA07
821 :     = (
822 :     ( (0.2379), (0.1310), (~0.9624), (* dgf-base-tfo *)
823 :     (~0.5876), (~0.7696), (~0.2499),
824 :     (~0.7734), (0.6249), (~0.1061),
825 :     (30.9870), (~26.9344), (42.6416)),
826 :     ( (0.7529), (0.1548), (0.6397), (* P-O3'-275-tfo *)
827 :     (0.2952), (~0.9481), (~0.1180),
828 :     (0.5882), (0.2777), (~0.7595),
829 :     (~58.8919), (~11.3095), (6.0866)),
830 :     ( (~0.0239), (0.9667), (~0.2546), (* P-O3'-180-tfo *)
831 :     (0.9731), (~0.0359), (~0.2275),
832 :     (~0.2290), (~0.2532), (~0.9399),
833 :     (3.5401), (~29.7913), (52.2796)),
834 :     ( (~0.8912), (~0.4531), (0.0242), (* P-O3'-60-tfo *)
835 :     (~0.1183), (0.1805), (~0.9764),
836 :     (0.4380), (~0.8730), (~0.2145),
837 :     (19.9023), (54.8054), (15.2799)),
838 :     ( (41.8210), (8.3880), (43.5890)), (* P *)
839 :     ( (42.5400), (8.0450), (44.8330)), (* O1P *)
840 :     ( (42.2470), (9.6920), (42.9910)), (* O2P *)
841 :     ( (40.2550), (8.2030), (43.7340)), (* O5' *)
842 :     ( (39.3505), (8.4697), (42.6565)), (* C5' *)
843 :     ( (39.1377), (7.5433), (42.1230)), (* H5' *)
844 :     ( (39.7203), (9.3119), (42.0717)), (* H5'' *)
845 :     ( (38.0405), (8.9195), (43.2869)), (* C4' *)
846 :     ( (37.3687), (9.3036), (42.5193)), (* H4' *)
847 :     ( (37.4319), (7.8146), (43.9387)), (* O4' *)
848 :     ( (37.1959), (8.1354), (45.3237)), (* C1' *)
849 :     ( (36.1788), (8.5202), (45.3970)), (* H1' *)
850 :     ( (38.1721), (9.2328), (45.6504)), (* C2' *)
851 :     ( (39.1555), (8.7939), (45.8188)), (* H2'' *)
852 :     ( (37.7862), (10.0617), (46.7013)), (* O2' *)
853 :     ( (37.3087), (9.6229), (47.4092)), (* H2' *)
854 :     ( (38.1844), (10.0268), (44.3367)), (* C3' *)
855 :     ( (39.1578), (10.5054), (44.2289)), (* H3' *)
856 :     ( (37.0547), (10.9127), (44.3441)), (* O3' *)
857 :     ( (34.8811), (4.2072), (47.5784)), (* N1 *)
858 :     ( (35.1084), (6.1336), (46.1818)), (* N3 *)
859 :     ( (34.4108), (5.1360), (46.7207)), (* C2 *)
860 :     ( (36.3908), (6.1224), (46.6053)), (* C4 *)
861 :     ( (36.9819), (5.2334), (47.4697)), (* C5 *)
862 :     ( (36.1786), (4.1985), (48.0035)), (* C6 *)
863 :     (A (
864 :     ( (36.6103), (3.2749), (48.8452)), (* N6 *)
865 :     ( (38.3236), (5.5522), (47.6595)), (* N7 *)
866 :     ( (37.3887), (7.0024), (46.2437)), (* N9 *)
867 :     ( (38.5055), (6.6096), (46.9057)), (* C8 *)
868 :     ( (33.3553), (5.0152), (46.4771)), (* H2 *)
869 :     ( (37.5730), (3.2804), (49.1507)), (* H61 *)
870 :     ( (35.9775), (2.5638), (49.1828)), (* H62 *)
871 :     ( (39.5461), (6.9184), (47.0041))) (* H8 *)
872 :     )
873 :     )
874 :    
875 :     val rA08
876 :     = (
877 :     ( (0.1084), (~0.0895), (~0.9901), (* dgf-base-tfo *)
878 :     (0.9789), (~0.1638), (0.1220),
879 :     (~0.1731), (~0.9824), (0.0698),
880 :     (~2.9039), (47.2655), (33.0094)),
881 :     ( (0.7529), (0.1548), (0.6397), (* P-O3'-275-tfo *)
882 :     (0.2952), (~0.9481), (~0.1180),
883 :     (0.5882), (0.2777), (~0.7595),
884 :     (~58.8919), (~11.3095), (6.0866)),
885 :     ( (~0.0239), (0.9667), (~0.2546), (* P-O3'-180-tfo *)
886 :     (0.9731), (~0.0359), (~0.2275),
887 :     (~0.2290), (~0.2532), (~0.9399),
888 :     (3.5401), (~29.7913), (52.2796)),
889 :     ( (~0.8912), (~0.4531), (0.0242), (* P-O3'-60-tfo *)
890 :     (~0.1183), (0.1805), (~0.9764),
891 :     (0.4380), (~0.8730), (~0.2145),
892 :     (19.9023), (54.8054), (15.2799)),
893 :     ( (41.8210), (8.3880), (43.5890)), (* P *)
894 :     ( (42.5400), (8.0450), (44.8330)), (* O1P *)
895 :     ( (42.2470), (9.6920), (42.9910)), (* O2P *)
896 :     ( (40.2550), (8.2030), (43.7340)), (* O5' *)
897 :     ( (39.4850), (8.9301), (44.6977)), (* C5' *)
898 :     ( (39.0638), (9.8199), (44.2296)), (* H5' *)
899 :     ( (40.0757), (9.0713), (45.6029)), (* H5'' *)
900 :     ( (38.3102), (8.0414), (45.0789)), (* C4' *)
901 :     ( (37.7842), (8.4637), (45.9351)), (* H4' *)
902 :     ( (37.4200), (7.9453), (43.9769)), (* O4' *)
903 :     ( (37.2249), (6.5609), (43.6273)), (* C1' *)
904 :     ( (36.3360), (6.2168), (44.1561)), (* H1' *)
905 :     ( (38.4347), (5.8414), (44.1590)), (* C2' *)
906 :     ( (39.2688), (5.9974), (43.4749)), (* H2'' *)
907 :     ( (38.2344), (4.4907), (44.4348)), (* O2' *)
908 :     ( (37.6374), (4.0386), (43.8341)), (* H2' *)
909 :     ( (38.6926), (6.6079), (45.4637)), (* C3' *)
910 :     ( (39.7585), (6.5640), (45.6877)), (* H3' *)
911 :     ( (37.8238), (6.0705), (46.4723)), (* O3' *)
912 :     ( (33.9162), (6.2598), (39.7758)), (* N1 *)
913 :     ( (34.6709), (6.5759), (42.0215)), (* N3 *)
914 :     ( (33.7257), (6.5186), (41.0858)), (* C2 *)
915 :     ( (35.8935), (6.3324), (41.5018)), (* C4 *)
916 :     ( (36.2105), (6.0601), (40.1932)), (* C5 *)
917 :     ( (35.1538), (6.0151), (39.2537)), (* C6 *)
918 :     (A (
919 :     ( (35.3088), (5.7642), (37.9649)), (* N6 *)
920 :     ( (37.5818), (5.8677), (40.0507)), (* N7 *)
921 :     ( (37.0932), (6.3197), (42.1810)), (* N9 *)
922 :     ( (38.0509), (6.0354), (41.2635)), (* C8 *)
923 :     ( (32.6830), (6.6898), (41.3532)), (* H2 *)
924 :     ( (36.2305), (5.5855), (37.5925)), (* H61 *)
925 :     ( (34.5056), (5.7512), (37.3528)), (* H62 *)
926 :     ( (39.1318), (5.8993), (41.2285))) (* H8 *)
927 :     )
928 :     )
929 :    
930 :     val rA09
931 :     = (
932 :     ( (0.8467), (0.4166), (~0.3311), (* dgf-base-tfo *)
933 :     (~0.3962), (0.9089), (0.1303),
934 :     (0.3552), (0.0209), (0.9346),
935 :     (~42.7319), (~26.6223), (~29.8163)),
936 :     ( (0.7529), (0.1548), (0.6397), (* P-O3'-275-tfo *)
937 :     (0.2952), (~0.9481), (~0.1180),
938 :     (0.5882), (0.2777), (~0.7595),
939 :     (~58.8919), (~11.3095), (6.0866)),
940 :     ( (~0.0239), (0.9667), (~0.2546), (* P-O3'-180-tfo *)
941 :     (0.9731), (~0.0359), (~0.2275),
942 :     (~0.2290), (~0.2532), (~0.9399),
943 :     (3.5401), (~29.7913), (52.2796)),
944 :     ( (~0.8912), (~0.4531), (0.0242), (* P-O3'-60-tfo *)
945 :     (~0.1183), (0.1805), (~0.9764),
946 :     (0.4380), (~0.8730), (~0.2145),
947 :     (19.9023), (54.8054), (15.2799)),
948 :     ( (41.8210), (8.3880), (43.5890)), (* P *)
949 :     ( (42.5400), (8.0450), (44.8330)), (* O1P *)
950 :     ( (42.2470), (9.6920), (42.9910)), (* O2P *)
951 :     ( (40.2550), (8.2030), (43.7340)), (* O5' *)
952 :     ( (39.3505), (8.4697), (42.6565)), (* C5' *)
953 :     ( (39.1377), (7.5433), (42.1230)), (* H5' *)
954 :     ( (39.7203), (9.3119), (42.0717)), (* H5'' *)
955 :     ( (38.0405), (8.9195), (43.2869)), (* C4' *)
956 :     ( (37.6479), (8.1347), (43.9335)), (* H4' *)
957 :     ( (38.2691), (10.0933), (44.0524)), (* O4' *)
958 :     ( (37.3999), (11.1488), (43.5973)), (* C1' *)
959 :     ( (36.5061), (11.1221), (44.2206)), (* H1' *)
960 :     ( (37.0364), (10.7838), (42.1836)), (* C2' *)
961 :     ( (37.8636), (11.0489), (41.5252)), (* H2'' *)
962 :     ( (35.8275), (11.3133), (41.7379)), (* O2' *)
963 :     ( (35.6214), (12.1896), (42.0714)), (* H2' *)
964 :     ( (36.9316), (9.2556), (42.2837)), (* C3' *)
965 :     ( (37.1778), (8.8260), (41.3127)), (* H3' *)
966 :     ( (35.6285), (8.9334), (42.7926)), (* O3' *)
967 :     ( (38.1482), (15.2833), (46.4641)), (* N1 *)
968 :     ( (37.3641), (13.0968), (45.9007)), (* N3 *)
969 :     ( (37.5032), (14.1288), (46.7300)), (* C2 *)
970 :     ( (37.9570), (13.3377), (44.7113)), (* C4 *)
971 :     ( (38.6397), (14.4660), (44.3267)), (* C5 *)
972 :     ( (38.7473), (15.5229), (45.2609)), (* C6 *)
973 :     (A (
974 :     ( (39.3720), (16.6649), (45.0297)), (* N6 *)
975 :     ( (39.1079), (14.3351), (43.0223)), (* N7 *)
976 :     ( (38.0132), (12.4868), (43.6280)), (* N9 *)
977 :     ( (38.7058), (13.1402), (42.6620)), (* C8 *)
978 :     ( (37.0731), (14.0857), (47.7306)), (* H2 *)
979 :     ( (39.8113), (16.8281), (44.1350)), (* H61 *)
980 :     ( (39.4100), (17.3741), (45.7478)), (* H62 *)
981 :     ( (39.0412), (12.9660), (41.6397))) (* H8 *)
982 :     )
983 :     )
984 :    
985 :     val rA10
986 :     = (
987 :     ( (0.7063), (0.6317), (~0.3196), (* dgf-base-tfo *)
988 :     (~0.0403), (~0.4149), (~0.9090),
989 :     (~0.7068), (0.6549), (~0.2676),
990 :     (6.4402), (~52.1496), (30.8246)),
991 :     ( (0.7529), (0.1548), (0.6397), (* P-O3'-275-tfo *)
992 :     (0.2952), (~0.9481), (~0.1180),
993 :     (0.5882), (0.2777), (~0.7595),
994 :     (~58.8919), (~11.3095), (6.0866)),
995 :     ( (~0.0239), (0.9667), (~0.2546), (* P-O3'-180-tfo *)
996 :     (0.9731), (~0.0359), (~0.2275),
997 :     (~0.2290), (~0.2532), (~0.9399),
998 :     (3.5401), (~29.7913), (52.2796)),
999 :     ( (~0.8912), (~0.4531), (0.0242), (* P-O3'-60-tfo *)
1000 :     (~0.1183), (0.1805), (~0.9764),
1001 :     (0.4380), (~0.8730), (~0.2145),
1002 :     (19.9023), (54.8054), (15.2799)),
1003 :     ( (41.8210), (8.3880), (43.5890)), (* P *)
1004 :     ( (42.5400), (8.0450), (44.8330)), (* O1P *)
1005 :     ( (42.2470), (9.6920), (42.9910)), (* O2P *)
1006 :     ( (40.2550), (8.2030), (43.7340)), (* O5' *)
1007 :     ( (39.4850), (8.9301), (44.6977)), (* C5' *)
1008 :     ( (39.0638), (9.8199), (44.2296)), (* H5' *)
1009 :     ( (40.0757), (9.0713), (45.6029)), (* H5'' *)
1010 :     ( (38.3102), (8.0414), (45.0789)), (* C4' *)
1011 :     ( (37.7099), (7.8166), (44.1973)), (* H4' *)
1012 :     ( (38.8012), (6.8321), (45.6380)), (* O4' *)
1013 :     ( (38.2431), (6.6413), (46.9529)), (* C1' *)
1014 :     ( (37.3505), (6.0262), (46.8385)), (* H1' *)
1015 :     ( (37.8484), (8.0156), (47.4214)), (* C2' *)
1016 :     ( (38.7381), (8.5406), (47.7690)), (* H2'' *)
1017 :     ( (36.8286), (8.0368), (48.3701)), (* O2' *)
1018 :     ( (36.8392), (7.3063), (48.9929)), (* H2' *)
1019 :     ( (37.3576), (8.6512), (46.1132)), (* C3' *)
1020 :     ( (37.5207), (9.7275), (46.1671)), (* H3' *)
1021 :     ( (35.9985), (8.2392), (45.9032)), (* O3' *)
1022 :     ( (39.9117), (2.2278), (48.8527)), (* N1 *)
1023 :     ( (38.6207), (3.6941), (47.4757)), (* N3 *)
1024 :     ( (38.9872), (2.4888), (47.9057)), (* C2 *)
1025 :     ( (39.2961), (4.6720), (48.1174)), (* C4 *)
1026 :     ( (40.2546), (4.5307), (49.0912)), (* C5 *)
1027 :     ( (40.5932), (3.2189), (49.4985)), (* C6 *)
1028 :     (A (
1029 :     ( (41.4938), (2.9317), (50.4229)), (* N6 *)
1030 :     ( (40.7195), (5.7755), (49.5060)), (* N7 *)
1031 :     ( (39.1730), (6.0305), (47.9170)), (* N9 *)
1032 :     ( (40.0413), (6.6250), (48.7728)), (* C8 *)
1033 :     ( (38.5257), (1.5960), (47.4838)), (* H2 *)
1034 :     ( (41.9907), (3.6753), (50.8921)), (* H61 *)
1035 :     ( (41.6848), (1.9687), (50.6599)), (* H62 *)
1036 :     ( (40.3571), (7.6321), (49.0452))) (* H8 *)
1037 :     )
1038 :     )
1039 :    
1040 :     val rAs = [rA01,rA02,rA03,rA04,rA05,rA06,rA07,rA08,rA09,rA10]
1041 :    
1042 :     val rC
1043 :     = (
1044 :     ( (~0.0359), (~0.8071), (0.5894), (* dgf-base-tfo *)
1045 :     (~0.2669), (0.5761), (0.7726),
1046 :     (~0.9631), (~0.1296), (~0.2361),
1047 :     (0.1584), (8.3434), (0.5434)),
1048 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
1049 :     (0.0649), (0.4366), (~0.8973),
1050 :     (0.5521), (~0.7648), (~0.3322),
1051 :     (1.6833), (6.8060), (~7.0011)),
1052 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
1053 :     (~0.4628), (~0.6450), (~0.6082),
1054 :     (0.8168), (~0.0436), (~0.5753),
1055 :     (~6.8179), (~3.9778), (~5.9887)),
1056 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
1057 :     (0.8103), (~0.5790), (0.0906),
1058 :     (~0.0255), (~0.1894), (~0.9816),
1059 :     (6.1203), (~7.1051), (3.1984)),
1060 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
1061 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
1062 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
1063 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
1064 :     ( (5.2430), (~8.2420), (2.8260)), (* C5' *)
1065 :     ( (5.1974), (~8.8497), (1.9223)), (* H5' *)
1066 :     ( (5.5548), (~8.7348), (3.7469)), (* H5'' *)
1067 :     ( (6.3140), (~7.2060), (2.5510)), (* C4' *)
1068 :     ( (7.2954), (~7.6762), (2.4898)), (* H4' *)
1069 :     ( (6.0140), (~6.5420), (1.2890)), (* O4' *)
1070 :     ( (6.4190), (~5.1840), (1.3620)), (* C1' *)
1071 :     ( (7.1608), (~5.0495), (0.5747)), (* H1' *)
1072 :     ( (7.0760), (~4.9560), (2.7270)), (* C2' *)
1073 :     ( (6.7770), (~3.9803), (3.1099)), (* H2'' *)
1074 :     ( (8.4500), (~5.1930), (2.5810)), (* O2' *)
1075 :     ( (8.8309), (~4.8755), (1.7590)), (* H2' *)
1076 :     ( (6.4060), (~6.0590), (3.5580)), (* C3' *)
1077 :     ( (5.4021), (~5.7313), (3.8281)), (* H3' *)
1078 :     ( (7.1570), (~6.4240), (4.7070)), (* O3' *)
1079 :     ( (5.2170), (~4.3260), (1.1690)), (* N1 *)
1080 :     ( (4.2960), (~2.2560), (0.6290)), (* N3 *)
1081 :     ( (5.4330), (~3.0200), (0.7990)), (* C2 *)
1082 :     ( (2.9930), (~2.6780), (0.7940)), (* C4 *)
1083 :     ( (2.8670), (~4.0630), (1.1830)), (* C5 *)
1084 :     ( (3.9570), (~4.8300), (1.3550)), (* C6 *)
1085 :     (C (
1086 :     ( (2.0187), (~1.8047), (0.5874)), (* N4 *)
1087 :     ( (6.5470), (~2.5560), (0.6290)), (* O2 *)
1088 :     ( (1.0684), (~2.1236), (0.7109)), (* H41 *)
1089 :     ( (2.2344), (~0.8560), (0.3162)), (* H42 *)
1090 :     ( (1.8797), (~4.4972), (1.3404)), (* H5 *)
1091 :     ( (3.8479), (~5.8742), (1.6480))) (* H6 *)
1092 :     )
1093 :     )
1094 :    
1095 :     val rC01
1096 :     = (
1097 :     ( (~0.0137), (~0.8012), (0.5983), (* dgf-base-tfo *)
1098 :     (~0.2523), (0.5817), (0.7733),
1099 :     (~0.9675), (~0.1404), (~0.2101),
1100 :     (0.2031), (8.3874), (0.4228)),
1101 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
1102 :     (0.0649), (0.4366), (~0.8973),
1103 :     (0.5521), (~0.7648), (~0.3322),
1104 :     (1.6833), (6.8060), (~7.0011)),
1105 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
1106 :     (~0.4628), (~0.6450), (~0.6082),
1107 :     (0.8168), (~0.0436), (~0.5753),
1108 :     (~6.8179), (~3.9778), (~5.9887)),
1109 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
1110 :     (0.8103), (~0.5790), (0.0906),
1111 :     (~0.0255), (~0.1894), (~0.9816),
1112 :     (6.1203), (~7.1051), (3.1984)),
1113 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
1114 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
1115 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
1116 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
1117 :     ( (5.2416), (~8.2422), (2.8181)), (* C5' *)
1118 :     ( (5.2050), (~8.8128), (1.8901)), (* H5' *)
1119 :     ( (5.5368), (~8.7738), (3.7227)), (* H5'' *)
1120 :     ( (6.3232), (~7.2037), (2.6002)), (* C4' *)
1121 :     ( (7.3048), (~7.6757), (2.5577)), (* H4' *)
1122 :     ( (6.0635), (~6.5092), (1.3456)), (* O4' *)
1123 :     ( (6.4697), (~5.1547), (1.4629)), (* C1' *)
1124 :     ( (7.2354), (~5.0043), (0.7018)), (* H1' *)
1125 :     ( (7.0856), (~4.9610), (2.8521)), (* C2' *)
1126 :     ( (6.7777), (~3.9935), (3.2487)), (* H2'' *)
1127 :     ( (8.4627), (~5.1992), (2.7423)), (* O2' *)
1128 :     ( (8.8693), (~4.8638), (1.9399)), (* H2' *)
1129 :     ( (6.3877), (~6.0809), (3.6362)), (* C3' *)
1130 :     ( (5.3770), (~5.7562), (3.8834)), (* H3' *)
1131 :     ( (7.1024), (~6.4754), (4.7985)), (* O3' *)
1132 :     ( (5.2764), (~4.2883), (1.2538)), (* N1 *)
1133 :     ( (4.3777), (~2.2062), (0.7229)), (* N3 *)
1134 :     ( (5.5069), (~2.9779), (0.9088)), (* C2 *)
1135 :     ( (3.0693), (~2.6246), (0.8500)), (* C4 *)
1136 :     ( (2.9279), (~4.0146), (1.2149)), (* C5 *)
1137 :     ( (4.0101), (~4.7892), (1.4017)), (* C6 *)
1138 :     (C (
1139 :     ( (2.1040), (~1.7437), (0.6331)), (* N4 *)
1140 :     ( (6.6267), (~2.5166), (0.7728)), (* O2 *)
1141 :     ( (1.1496), (~2.0600), (0.7287)), (* H41 *)
1142 :     ( (2.3303), (~0.7921), (0.3815)), (* H42 *)
1143 :     ( (1.9353), (~4.4465), (1.3419)), (* H5 *)
1144 :     ( (3.8895), (~5.8371), (1.6762))) (* H6 *)
1145 :     )
1146 :     )
1147 :    
1148 :     val rC02
1149 :     = (
1150 :     ( (0.5141), (0.0246), (0.8574), (* dgf-base-tfo *)
1151 :     (~0.5547), (~0.7529), (0.3542),
1152 :     (0.6542), (~0.6577), (~0.3734),
1153 :     (~9.1111), (~3.4598), (~3.2939)),
1154 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
1155 :     (0.0649), (0.4366), (~0.8973),
1156 :     (0.5521), (~0.7648), (~0.3322),
1157 :     (1.6833), (6.8060), (~7.0011)),
1158 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
1159 :     (~0.4628), (~0.6450), (~0.6082),
1160 :     (0.8168), (~0.0436), (~0.5753),
1161 :     (~6.8179), (~3.9778), (~5.9887)),
1162 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
1163 :     (0.8103), (~0.5790), (0.0906),
1164 :     (~0.0255), (~0.1894), (~0.9816),
1165 :     (6.1203), (~7.1051), (3.1984)),
1166 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
1167 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
1168 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
1169 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
1170 :     ( (4.3825), (~6.6585), (4.0489)), (* C5' *)
1171 :     ( (4.6841), (~7.2019), (4.9443)), (* H5' *)
1172 :     ( (3.6189), (~5.8889), (4.1625)), (* H5'' *)
1173 :     ( (5.6255), (~5.9175), (3.5998)), (* C4' *)
1174 :     ( (5.8732), (~5.1228), (4.3034)), (* H4' *)
1175 :     ( (6.7337), (~6.8605), (3.5222)), (* O4' *)
1176 :     ( (7.5932), (~6.4923), (2.4548)), (* C1' *)
1177 :     ( (8.5661), (~6.2983), (2.9064)), (* H1' *)
1178 :     ( (7.0527), (~5.2012), (1.8322)), (* C2' *)
1179 :     ( (7.1627), (~5.2525), (0.7490)), (* H2'' *)
1180 :     ( (7.6666), (~4.1249), (2.4880)), (* O2' *)
1181 :     ( (8.5944), (~4.2543), (2.6981)), (* H2' *)
1182 :     ( (5.5661), (~5.3029), (2.2009)), (* C3' *)
1183 :     ( (5.0841), (~6.0018), (1.5172)), (* H3' *)
1184 :     ( (4.9062), (~4.0452), (2.2042)), (* O3' *)
1185 :     ( (7.6298), (~7.6136), (1.4752)), (* N1 *)
1186 :     ( (8.6945), (~8.7046), (~0.2857)), (* N3 *)
1187 :     ( (8.6943), (~7.6514), (0.6066)), (* C2 *)
1188 :     ( (7.7426), (~9.6987), (~0.3801)), (* C4 *)
1189 :     ( (6.6642), (~9.5742), (0.5722)), (* C5 *)
1190 :     ( (6.6391), (~8.5592), (1.4526)), (* C6 *)
1191 :     (C (
1192 :     ( (7.9033), (~10.6371), (~1.3010)), (* N4 *)
1193 :     ( (9.5840), (~6.8186), (0.6136)), (* O2 *)
1194 :     ( (7.2009), (~11.3604), (~1.3619)), (* H41 *)
1195 :     ( (8.7058), (~10.6168), (~1.9140)), (* H42 *)
1196 :     ( (5.8585), (~10.3083), (0.5822)), (* H5 *)
1197 :     ( (5.8197), (~8.4773), (2.1667))) (* H6 *)
1198 :     )
1199 :     )
1200 :    
1201 :     val rC03
1202 :     = (
1203 :     ( (~0.4993), (0.0476), (0.8651), (* dgf-base-tfo *)
1204 :     (0.8078), (~0.3353), (0.4847),
1205 :     (0.3132), (0.9409), (0.1290),
1206 :     (6.2989), (~5.2303), (~3.8577)),
1207 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
1208 :     (0.0649), (0.4366), (~0.8973),
1209 :     (0.5521), (~0.7648), (~0.3322),
1210 :     (1.6833), (6.8060), (~7.0011)),
1211 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
1212 :     (~0.4628), (~0.6450), (~0.6082),
1213 :     (0.8168), (~0.0436), (~0.5753),
1214 :     (~6.8179), (~3.9778), (~5.9887)),
1215 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
1216 :     (0.8103), (~0.5790), (0.0906),
1217 :     (~0.0255), (~0.1894), (~0.9816),
1218 :     (6.1203), (~7.1051), (3.1984)),
1219 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
1220 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
1221 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
1222 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
1223 :     ( (3.9938), (~6.7042), (1.9023)), (* C5' *)
1224 :     ( (3.2332), (~5.9343), (2.0319)), (* H5' *)
1225 :     ( (3.9666), (~7.2863), (0.9812)), (* H5'' *)
1226 :     ( (5.3098), (~5.9546), (1.8564)), (* C4' *)
1227 :     ( (5.3863), (~5.3702), (0.9395)), (* H4' *)
1228 :     ( (5.3851), (~5.0642), (3.0076)), (* O4' *)
1229 :     ( (6.7315), (~4.9724), (3.4462)), (* C1' *)
1230 :     ( (7.0033), (~3.9202), (3.3619)), (* H1' *)
1231 :     ( (7.5997), (~5.8018), (2.4948)), (* C2' *)
1232 :     ( (8.3627), (~6.3254), (3.0707)), (* H2'' *)
1233 :     ( (8.0410), (~4.9501), (1.4724)), (* O2' *)
1234 :     ( (8.2781), (~4.0644), (1.7570)), (* H2' *)
1235 :     ( (6.5701), (~6.8129), (1.9714)), (* C3' *)
1236 :     ( (6.4186), (~7.5809), (2.7299)), (* H3' *)
1237 :     ( (6.9357), (~7.3841), (0.7235)), (* O3' *)
1238 :     ( (6.8024), (~5.4718), (4.8475)), (* N1 *)
1239 :     ( (7.9218), (~5.5700), (6.8877)), (* N3 *)
1240 :     ( (7.8908), (~5.0886), (5.5944)), (* C2 *)
1241 :     ( (6.9789), (~6.3827), (7.4823)), (* C4 *)
1242 :     ( (5.8742), (~6.7319), (6.6202)), (* C5 *)
1243 :     ( (5.8182), (~6.2769), (5.3570)), (* C6 *)
1244 :     (C (
1245 :     ( (7.1702), (~6.7511), (8.7402)), (* N4 *)
1246 :     ( (8.7747), (~4.3728), (5.1568)), (* O2 *)
1247 :     ( (6.4741), (~7.3461), (9.1662)), (* H41 *)
1248 :     ( (7.9889), (~6.4396), (9.2429)), (* H42 *)
1249 :     ( (5.0736), (~7.3713), (6.9922)), (* H5 *)
1250 :     ( (4.9784), (~6.5473), (4.7170))) (* H6 *)
1251 :     )
1252 :     )
1253 :    
1254 :     val rC04
1255 :     = (
1256 :     ( (~0.5669), (~0.8012), (0.1918), (* dgf-base-tfo *)
1257 :     (~0.8129), (0.5817), (0.0273),
1258 :     (~0.1334), (~0.1404), (~0.9811),
1259 :     (~0.3279), (8.3874), (0.3355)),
1260 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
1261 :     (0.0649), (0.4366), (~0.8973),
1262 :     (0.5521), (~0.7648), (~0.3322),
1263 :     (1.6833), (6.8060), (~7.0011)),
1264 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
1265 :     (~0.4628), (~0.6450), (~0.6082),
1266 :     (0.8168), (~0.0436), (~0.5753),
1267 :     (~6.8179), (~3.9778), (~5.9887)),
1268 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
1269 :     (0.8103), (~0.5790), (0.0906),
1270 :     (~0.0255), (~0.1894), (~0.9816),
1271 :     (6.1203), (~7.1051), (3.1984)),
1272 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
1273 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
1274 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
1275 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
1276 :     ( (5.2416), (~8.2422), (2.8181)), (* C5' *)
1277 :     ( (5.2050), (~8.8128), (1.8901)), (* H5' *)
1278 :     ( (5.5368), (~8.7738), (3.7227)), (* H5'' *)
1279 :     ( (6.3232), (~7.2037), (2.6002)), (* C4' *)
1280 :     ( (7.3048), (~7.6757), (2.5577)), (* H4' *)
1281 :     ( (6.0635), (~6.5092), (1.3456)), (* O4' *)
1282 :     ( (6.4697), (~5.1547), (1.4629)), (* C1' *)
1283 :     ( (7.2354), (~5.0043), (0.7018)), (* H1' *)
1284 :     ( (7.0856), (~4.9610), (2.8521)), (* C2' *)
1285 :     ( (6.7777), (~3.9935), (3.2487)), (* H2'' *)
1286 :     ( (8.4627), (~5.1992), (2.7423)), (* O2' *)
1287 :     ( (8.8693), (~4.8638), (1.9399)), (* H2' *)
1288 :     ( (6.3877), (~6.0809), (3.6362)), (* C3' *)
1289 :     ( (5.3770), (~5.7562), (3.8834)), (* H3' *)
1290 :     ( (7.1024), (~6.4754), (4.7985)), (* O3' *)
1291 :     ( (5.2764), (~4.2883), (1.2538)), (* N1 *)
1292 :     ( (3.8961), (~3.0896), (~0.1893)), (* N3 *)
1293 :     ( (5.0095), (~3.8907), (~0.0346)), (* C2 *)
1294 :     ( (3.0480), (~2.6632), (0.8116)), (* C4 *)
1295 :     ( (3.4093), (~3.1310), (2.1292)), (* C5 *)
1296 :     ( (4.4878), (~3.9124), (2.3088)), (* C6 *)
1297 :     (C (
1298 :     ( (2.0216), (~1.8941), (0.4804)), (* N4 *)
1299 :     ( (5.7005), (~4.2164), (~0.9842)), (* O2 *)
1300 :     ( (1.4067), (~1.5873), (1.2205)), (* H41 *)
1301 :     ( (1.8721), (~1.6319), (~0.4835)), (* H42 *)
1302 :     ( (2.8048), (~2.8507), (2.9918)), (* H5 *)
1303 :     ( (4.7491), (~4.2593), (3.3085))) (* H6 *)
1304 :     )
1305 :     )
1306 :    
1307 :     val rC05
1308 :     = (
1309 :     ( (~0.6298), (0.0246), (0.7763), (* dgf-base-tfo *)
1310 :     (~0.5226), (~0.7529), (~0.4001),
1311 :     (0.5746), (~0.6577), (0.4870),
1312 :     (~0.0208), (~3.4598), (~9.6882)),
1313 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
1314 :     (0.0649), (0.4366), (~0.8973),
1315 :     (0.5521), (~0.7648), (~0.3322),
1316 :     (1.6833), (6.8060), (~7.0011)),
1317 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
1318 :     (~0.4628), (~0.6450), (~0.6082),
1319 :     (0.8168), (~0.0436), (~0.5753),
1320 :     (~6.8179), (~3.9778), (~5.9887)),
1321 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
1322 :     (0.8103), (~0.5790), (0.0906),
1323 :     (~0.0255), (~0.1894), (~0.9816),
1324 :     (6.1203), (~7.1051), (3.1984)),
1325 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
1326 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
1327 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
1328 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
1329 :     ( (4.3825), (~6.6585), (4.0489)), (* C5' *)
1330 :     ( (4.6841), (~7.2019), (4.9443)), (* H5' *)
1331 :     ( (3.6189), (~5.8889), (4.1625)), (* H5'' *)
1332 :     ( (5.6255), (~5.9175), (3.5998)), (* C4' *)
1333 :     ( (5.8732), (~5.1228), (4.3034)), (* H4' *)
1334 :     ( (6.7337), (~6.8605), (3.5222)), (* O4' *)
1335 :     ( (7.5932), (~6.4923), (2.4548)), (* C1' *)
1336 :     ( (8.5661), (~6.2983), (2.9064)), (* H1' *)
1337 :     ( (7.0527), (~5.2012), (1.8322)), (* C2' *)
1338 :     ( (7.1627), (~5.2525), (0.7490)), (* H2'' *)
1339 :     ( (7.6666), (~4.1249), (2.4880)), (* O2' *)
1340 :     ( (8.5944), (~4.2543), (2.6981)), (* H2' *)
1341 :     ( (5.5661), (~5.3029), (2.2009)), (* C3' *)
1342 :     ( (5.0841), (~6.0018), (1.5172)), (* H3' *)
1343 :     ( (4.9062), (~4.0452), (2.2042)), (* O3' *)
1344 :     ( (7.6298), (~7.6136), (1.4752)), (* N1 *)
1345 :     ( (8.5977), (~9.5977), (0.7329)), (* N3 *)
1346 :     ( (8.5951), (~8.5745), (1.6594)), (* C2 *)
1347 :     ( (7.7372), (~9.7371), (~0.3364)), (* C4 *)
1348 :     ( (6.7596), (~8.6801), (~0.4476)), (* C5 *)
1349 :     ( (6.7338), (~7.6721), (0.4408)), (* C6 *)
1350 :     (C (
1351 :     ( (7.8849), (~10.7881), (~1.1289)), (* N4 *)
1352 :     ( (9.3993), (~8.5377), (2.5743)), (* O2 *)
1353 :     ( (7.2499), (~10.8809), (~1.9088)), (* H41 *)
1354 :     ( (8.6122), (~11.4649), (~0.9468)), (* H42 *)
1355 :     ( (6.0317), (~8.6941), (~1.2588)), (* H5 *)
1356 :     ( (5.9901), (~6.8809), (0.3459))) (* H6 *)
1357 :     )
1358 :     )
1359 :    
1360 :     val rC06
1361 :     = (
1362 :     ( (~0.9837), (0.0476), (~0.1733), (* dgf-base-tfo *)
1363 :     (~0.1792), (~0.3353), (0.9249),
1364 :     (~0.0141), (0.9409), (0.3384),
1365 :     (5.7793), (~5.2303), (4.5997)),
1366 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
1367 :     (0.0649), (0.4366), (~0.8973),
1368 :     (0.5521), (~0.7648), (~0.3322),
1369 :     (1.6833), (6.8060), (~7.0011)),
1370 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
1371 :     (~0.4628), (~0.6450), (~0.6082),
1372 :     (0.8168), (~0.0436), (~0.5753),
1373 :     (~6.8179), (~3.9778), (~5.9887)),
1374 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
1375 :     (0.8103), (~0.5790), (0.0906),
1376 :     (~0.0255), (~0.1894), (~0.9816),
1377 :     (6.1203), (~7.1051), (3.1984)),
1378 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
1379 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
1380 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
1381 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
1382 :     ( (3.9938), (~6.7042), (1.9023)), (* C5' *)
1383 :     ( (3.2332), (~5.9343), (2.0319)), (* H5' *)
1384 :     ( (3.9666), (~7.2863), (0.9812)), (* H5'' *)
1385 :     ( (5.3098), (~5.9546), (1.8564)), (* C4' *)
1386 :     ( (5.3863), (~5.3702), (0.9395)), (* H4' *)
1387 :     ( (5.3851), (~5.0642), (3.0076)), (* O4' *)
1388 :     ( (6.7315), (~4.9724), (3.4462)), (* C1' *)
1389 :     ( (7.0033), (~3.9202), (3.3619)), (* H1' *)
1390 :     ( (7.5997), (~5.8018), (2.4948)), (* C2' *)
1391 :     ( (8.3627), (~6.3254), (3.0707)), (* H2'' *)
1392 :     ( (8.0410), (~4.9501), (1.4724)), (* O2' *)
1393 :     ( (8.2781), (~4.0644), (1.7570)), (* H2' *)
1394 :     ( (6.5701), (~6.8129), (1.9714)), (* C3' *)
1395 :     ( (6.4186), (~7.5809), (2.7299)), (* H3' *)
1396 :     ( (6.9357), (~7.3841), (0.7235)), (* O3' *)
1397 :     ( (6.8024), (~5.4718), (4.8475)), (* N1 *)
1398 :     ( (6.6920), (~5.0495), (7.1354)), (* N3 *)
1399 :     ( (6.6201), (~4.5500), (5.8506)), (* C2 *)
1400 :     ( (6.9254), (~6.3614), (7.4926)), (* C4 *)
1401 :     ( (7.1046), (~7.2543), (6.3718)), (* C5 *)
1402 :     ( (7.0391), (~6.7951), (5.1106)), (* C6 *)
1403 :     (C (
1404 :     ( (6.9614), (~6.6648), (8.7815)), (* N4 *)
1405 :     ( (6.4083), (~3.3696), (5.6340)), (* O2 *)
1406 :     ( (7.1329), (~7.6280), (9.0324)), (* H41 *)
1407 :     ( (6.8204), (~5.9469), (9.4777)), (* H42 *)
1408 :     ( (7.2954), (~8.3135), (6.5440)), (* H5 *)
1409 :     ( (7.1753), (~7.4798), (4.2735))) (* H6 *)
1410 :     )
1411 :     )
1412 :    
1413 :     val rC07
1414 :     = (
1415 :     ( (0.0033), (0.2720), (~0.9623), (* dgf-base-tfo *)
1416 :     (0.3013), (~0.9179), (~0.2584),
1417 :     (~0.9535), (~0.2891), (~0.0850),
1418 :     (43.0403), (13.7233), (34.5710)),
1419 :     ( (0.9187), (0.2887), (0.2694), (* P-O3'-275-tfo *)
1420 :     (0.0302), (~0.7316), (0.6811),
1421 :     (0.3938), (~0.6176), (~0.6808),
1422 :     (~48.4330), (26.3254), (13.6383)),
1423 :     ( (~0.1504), (0.7744), (~0.6145), (* P-O3'-180-tfo *)
1424 :     (0.7581), (0.4893), (0.4311),
1425 :     (0.6345), (~0.4010), (~0.6607),
1426 :     (~31.9784), (~13.4285), (44.9650)),
1427 :     ( (~0.6236), (~0.7810), (~0.0337), (* P-O3'-60-tfo *)
1428 :     (~0.6890), (0.5694), (~0.4484),
1429 :     (0.3694), (~0.2564), (~0.8932),
1430 :     (12.1105), (30.8774), (46.0946)),
1431 :     ( (33.3400), (11.0980), (46.1750)), (* P *)
1432 :     ( (34.5130), (10.2320), (46.4660)), (* O1P *)
1433 :     ( (33.4130), (12.3960), (46.9340)), (* O2P *)
1434 :     ( (31.9810), (10.3390), (46.4820)), (* O5' *)
1435 :     ( (30.8152), (11.1619), (46.2003)), (* C5' *)
1436 :     ( (30.4519), (10.9454), (45.1957)), (* H5' *)
1437 :     ( (31.0379), (12.2016), (46.4400)), (* H5'' *)
1438 :     ( (29.7081), (10.7448), (47.1428)), (* C4' *)
1439 :     ( (28.8710), (11.4416), (47.0982)), (* H4' *)
1440 :     ( (29.2550), (9.4394), (46.8162)), (* O4' *)
1441 :     ( (29.3907), (8.5625), (47.9460)), (* C1' *)
1442 :     ( (28.4416), (8.5669), (48.4819)), (* H1' *)
1443 :     ( (30.4468), (9.2031), (48.7952)), (* C2' *)
1444 :     ( (31.4222), (8.9651), (48.3709)), (* H2'' *)
1445 :     ( (30.3701), (8.9157), (50.1624)), (* O2' *)
1446 :     ( (30.0652), (8.0304), (50.3740)), (* H2' *)
1447 :     ( (30.1622), (10.6879), (48.6120)), (* C3' *)
1448 :     ( (31.0952), (11.2399), (48.7254)), (* H3' *)
1449 :     ( (29.1076), (11.1535), (49.4702)), (* O3' *)
1450 :     ( (29.7883), (7.2209), (47.5235)), (* N1 *)
1451 :     ( (29.1825), (5.0438), (46.8275)), (* N3 *)
1452 :     ( (28.8008), (6.2912), (47.2263)), (* C2 *)
1453 :     ( (30.4888), (4.6890), (46.7186)), (* C4 *)
1454 :     ( (31.5034), (5.6405), (47.0249)), (* C5 *)
1455 :     ( (31.1091), (6.8691), (47.4156)), (* C6 *)
1456 :     (C (
1457 :     ( (30.8109), (3.4584), (46.3336)), (* N4 *)
1458 :     ( (27.6171), (6.5989), (47.3189)), (* O2 *)
1459 :     ( (31.7923), (3.2301), (46.2638)), (* H41 *)
1460 :     ( (30.0880), (2.7857), (46.1215)), (* H42 *)
1461 :     ( (32.5542), (5.3634), (46.9395)), (* H5 *)
1462 :     ( (31.8523), (7.6279), (47.6603))) (* H6 *)
1463 :     )
1464 :     )
1465 :    
1466 :     val rC08
1467 :     = (
1468 :     ( (0.0797), (~0.6026), (~0.7941), (* dgf-base-tfo *)
1469 :     (0.7939), (0.5201), (~0.3150),
1470 :     (0.6028), (~0.6054), (0.5198),
1471 :     (~36.8341), (41.5293), (1.6628)),
1472 :     ( (0.9187), (0.2887), (0.2694), (* P-O3'-275-tfo *)
1473 :     (0.0302), (~0.7316), (0.6811),
1474 :     (0.3938), (~0.6176), (~0.6808),
1475 :     (~48.4330), (26.3254), (13.6383)),
1476 :     ( (~0.1504), (0.7744), (~0.6145), (* P-O3'-180-tfo *)
1477 :     (0.7581), (0.4893), (0.4311),
1478 :     (0.6345), (~0.4010), (~0.6607),
1479 :     (~31.9784), (~13.4285), (44.9650)),
1480 :     ( (~0.6236), (~0.7810), (~0.0337), (* P-O3'-60-tfo *)
1481 :     (~0.6890), (0.5694), (~0.4484),
1482 :     (0.3694), (~0.2564), (~0.8932),
1483 :     (12.1105), (30.8774), (46.0946)),
1484 :     ( (33.3400), (11.0980), (46.1750)), (* P *)
1485 :     ( (34.5130), (10.2320), (46.4660)), (* O1P *)
1486 :     ( (33.4130), (12.3960), (46.9340)), (* O2P *)
1487 :     ( (31.9810), (10.3390), (46.4820)), (* O5' *)
1488 :     ( (31.8779), (9.9369), (47.8760)), (* C5' *)
1489 :     ( (31.3239), (10.6931), (48.4322)), (* H5' *)
1490 :     ( (32.8647), (9.6624), (48.2489)), (* H5'' *)
1491 :     ( (31.0429), (8.6773), (47.9401)), (* C4' *)
1492 :     ( (31.0779), (8.2331), (48.9349)), (* H4' *)
1493 :     ( (29.6956), (8.9669), (47.5983)), (* O4' *)
1494 :     ( (29.2784), (8.1700), (46.4782)), (* C1' *)
1495 :     ( (28.8006), (7.2731), (46.8722)), (* H1' *)
1496 :     ( (30.5544), (7.7940), (45.7875)), (* C2' *)
1497 :     ( (30.8837), (8.6410), (45.1856)), (* H2'' *)
1498 :     ( (30.5100), (6.6007), (45.0582)), (* O2' *)
1499 :     ( (29.6694), (6.4168), (44.6326)), (* H2' *)
1500 :     ( (31.5146), (7.5954), (46.9527)), (* C3' *)
1501 :     ( (32.5255), (7.8261), (46.6166)), (* H3' *)
1502 :     ( (31.3876), (6.2951), (47.5516)), (* O3' *)
1503 :     ( (28.3976), (8.9302), (45.5933)), (* N1 *)
1504 :     ( (26.2155), (9.6135), (44.9910)), (* N3 *)
1505 :     ( (27.0281), (8.8961), (45.8192)), (* C2 *)
1506 :     ( (26.7044), (10.3489), (43.9595)), (* C4 *)
1507 :     ( (28.1088), (10.3837), (43.7247)), (* C5 *)
1508 :     ( (28.8978), (9.6708), (44.5535)), (* C6 *)
1509 :     (C (
1510 :     ( (25.8715), (11.0249), (43.1749)), (* N4 *)
1511 :     ( (26.5733), (8.2371), (46.7484)), (* O2 *)
1512 :     ( (26.2707), (11.5609), (42.4177)), (* H41 *)
1513 :     ( (24.8760), (10.9939), (43.3427)), (* H42 *)
1514 :     ( (28.5089), (10.9722), (42.8990)), (* H5 *)
1515 :     ( (29.9782), (9.6687), (44.4097))) (* H6 *)
1516 :     )
1517 :     )
1518 :    
1519 :     val rC09
1520 :     = (
1521 :     ( (0.8727), (0.4760), (~0.1091), (* dgf-base-tfo *)
1522 :     (~0.4188), (0.6148), (~0.6682),
1523 :     (~0.2510), (0.6289), (0.7359),
1524 :     (~8.1687), (~52.0761), (~25.0726)),
1525 :     ( (0.9187), (0.2887), (0.2694), (* P-O3'-275-tfo *)
1526 :     (0.0302), (~0.7316), (0.6811),
1527 :     (0.3938), (~0.6176), (~0.6808),
1528 :     (~48.4330), (26.3254), (13.6383)),
1529 :     ( (~0.1504), (0.7744), (~0.6145), (* P-O3'-180-tfo *)
1530 :     (0.7581), (0.4893), (0.4311),
1531 :     (0.6345), (~0.4010), (~0.6607),
1532 :     (~31.9784), (~13.4285), (44.9650)),
1533 :     ( (~0.6236), (~0.7810), (~0.0337), (* P-O3'-60-tfo *)
1534 :     (~0.6890), (0.5694), (~0.4484),
1535 :     (0.3694), (~0.2564), (~0.8932),
1536 :     (12.1105), (30.8774), (46.0946)),
1537 :     ( (33.3400), (11.0980), (46.1750)), (* P *)
1538 :     ( (34.5130), (10.2320), (46.4660)), (* O1P *)
1539 :     ( (33.4130), (12.3960), (46.9340)), (* O2P *)
1540 :     ( (31.9810), (10.3390), (46.4820)), (* O5' *)
1541 :     ( (30.8152), (11.1619), (46.2003)), (* C5' *)
1542 :     ( (30.4519), (10.9454), (45.1957)), (* H5' *)
1543 :     ( (31.0379), (12.2016), (46.4400)), (* H5'' *)
1544 :     ( (29.7081), (10.7448), (47.1428)), (* C4' *)
1545 :     ( (29.4506), (9.6945), (47.0059)), (* H4' *)
1546 :     ( (30.1045), (10.9634), (48.4885)), (* O4' *)
1547 :     ( (29.1794), (11.8418), (49.1490)), (* C1' *)
1548 :     ( (28.4388), (11.2210), (49.6533)), (* H1' *)
1549 :     ( (28.5211), (12.6008), (48.0367)), (* C2' *)
1550 :     ( (29.1947), (13.3949), (47.7147)), (* H2'' *)
1551 :     ( (27.2316), (13.0683), (48.3134)), (* O2' *)
1552 :     ( (27.0851), (13.3391), (49.2227)), (* H2' *)
1553 :     ( (28.4131), (11.5507), (46.9391)), (* C3' *)
1554 :     ( (28.4451), (12.0512), (45.9713)), (* H3' *)
1555 :     ( (27.2707), (10.6955), (47.1097)), (* O3' *)
1556 :     ( (29.8751), (12.7405), (50.0682)), (* N1 *)
1557 :     ( (30.7172), (13.1841), (52.2328)), (* N3 *)
1558 :     ( (30.0617), (12.3404), (51.3847)), (* C2 *)
1559 :     ( (31.1834), (14.3941), (51.8297)), (* C4 *)
1560 :     ( (30.9913), (14.8074), (50.4803)), (* C5 *)
1561 :     ( (30.3434), (13.9610), (49.6548)), (* C6 *)
1562 :     (C (
1563 :     ( (31.8090), (15.1847), (52.6957)), (* N4 *)
1564 :     ( (29.6470), (11.2494), (51.7616)), (* O2 *)
1565 :     ( (32.1422), (16.0774), (52.3606)), (* H41 *)
1566 :     ( (31.9392), (14.8893), (53.6527)), (* H42 *)
1567 :     ( (31.3632), (15.7771), (50.1491)), (* H5 *)
1568 :     ( (30.1742), (14.2374), (48.6141))) (* H6 *)
1569 :     )
1570 :     )
1571 :    
1572 :     val rC10
1573 :     = (
1574 :     ( (0.1549), (0.8710), (~0.4663), (* dgf-base-tfo *)
1575 :     (0.6768), (~0.4374), (~0.5921),
1576 :     (~0.7197), (~0.2239), (~0.6572),
1577 :     (25.2447), (~14.1920), (50.3201)),
1578 :     ( (0.9187), (0.2887), (0.2694), (* P-O3'-275-tfo *)
1579 :     (0.0302), (~0.7316), (0.6811),
1580 :     (0.3938), (~0.6176), (~0.6808),
1581 :     (~48.4330), (26.3254), (13.6383)),
1582 :     ( (~0.1504), (0.7744), (~0.6145), (* P-O3'-180-tfo *)
1583 :     (0.7581), (0.4893), (0.4311),
1584 :     (0.6345), (~0.4010), (~0.6607),
1585 :     (~31.9784), (~13.4285), (44.9650)),
1586 :     ( (~0.6236), (~0.7810), (~0.0337), (* P-O3'-60-tfo *)
1587 :     (~0.6890), (0.5694), (~0.4484),
1588 :     (0.3694), (~0.2564), (~0.8932),
1589 :     (12.1105), (30.8774), (46.0946)),
1590 :     ( (33.3400), (11.0980), (46.1750)), (* P *)
1591 :     ( (34.5130), (10.2320), (46.4660)), (* O1P *)
1592 :     ( (33.4130), (12.3960), (46.9340)), (* O2P *)
1593 :     ( (31.9810), (10.3390), (46.4820)), (* O5' *)
1594 :     ( (31.8779), (9.9369), (47.8760)), (* C5' *)
1595 :     ( (31.3239), (10.6931), (48.4322)), (* H5' *)
1596 :     ( (32.8647), (9.6624), (48.2489)), (* H5'' *)
1597 :     ( (31.0429), (8.6773), (47.9401)), (* C4' *)
1598 :     ( (30.0440), (8.8473), (47.5383)), (* H4' *)
1599 :     ( (31.6749), (7.6351), (47.2119)), (* O4' *)
1600 :     ( (31.9159), (6.5022), (48.0616)), (* C1' *)
1601 :     ( (31.0691), (5.8243), (47.9544)), (* H1' *)
1602 :     ( (31.9300), (7.0685), (49.4493)), (* C2' *)
1603 :     ( (32.9024), (7.5288), (49.6245)), (* H2'' *)
1604 :     ( (31.5672), (6.1750), (50.4632)), (* O2' *)
1605 :     ( (31.8416), (5.2663), (50.3200)), (* H2' *)
1606 :     ( (30.8618), (8.1514), (49.3749)), (* C3' *)
1607 :     ( (31.1122), (8.9396), (50.0850)), (* H3' *)
1608 :     ( (29.5351), (7.6245), (49.5409)), (* O3' *)
1609 :     ( (33.1890), (5.8629), (47.7343)), (* N1 *)
1610 :     ( (34.4004), (4.2636), (46.4828)), (* N3 *)
1611 :     ( (33.2062), (4.8497), (46.7851)), (* C2 *)
1612 :     ( (35.5600), (4.6374), (47.0822)), (* C4 *)
1613 :     ( (35.5444), (5.6751), (48.0577)), (* C5 *)
1614 :     ( (34.3565), (6.2450), (48.3432)), (* C6 *)
1615 :     (C (
1616 :     ( (36.6977), (4.0305), (46.7598)), (* N4 *)
1617 :     ( (32.1661), (4.5034), (46.2348)), (* O2 *)
1618 :     ( (37.5405), (4.3347), (47.2259)), (* H41 *)
1619 :     ( (36.7033), (3.2923), (46.0706)), (* H42 *)
1620 :     ( (36.4713), (5.9811), (48.5428)), (* H5 *)
1621 :     ( (34.2986), (7.0426), (49.0839))) (* H6 *)
1622 :     )
1623 :     )
1624 :    
1625 :     val rCs = [rC01,rC02,rC03,rC04,rC05,rC06,rC07,rC08,rC09,rC10]
1626 :    
1627 :     val rG
1628 :     = (
1629 :     ( (~0.0018), (~0.8207), (0.5714), (* dgf-base-tfo *)
1630 :     (0.2679), (~0.5509), (~0.7904),
1631 :     (0.9634), (0.1517), (0.2209),
1632 :     (0.0073), (8.4030), (0.6232)),
1633 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
1634 :     (~0.0433), (~0.4257), (0.9038),
1635 :     (~0.5788), (0.7480), (0.3246),
1636 :     (1.5227), (6.9114), (~7.0765)),
1637 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
1638 :     (0.4552), (0.6637), (0.5935),
1639 :     (~0.8042), (0.0203), (0.5941),
1640 :     (~6.9472), (~4.1186), (~5.9108)),
1641 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
1642 :     (~0.8247), (0.5587), (~0.0878),
1643 :     (0.0426), (0.2162), (0.9754),
1644 :     (6.2694), (~7.0540), (3.3316)),
1645 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
1646 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
1647 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
1648 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
1649 :     ( (5.4550), (8.2120), (~2.8810)), (* C5' *)
1650 :     ( (5.4546), (8.8508), (~1.9978)), (* H5' *)
1651 :     ( (5.7588), (8.6625), (~3.8259)), (* H5'' *)
1652 :     ( (6.4970), (7.1480), (~2.5980)), (* C4' *)
1653 :     ( (7.4896), (7.5919), (~2.5214)), (* H4' *)
1654 :     ( (6.1630), (6.4860), (~1.3440)), (* O4' *)
1655 :     ( (6.5400), (5.1200), (~1.4190)), (* C1' *)
1656 :     ( (7.2763), (4.9681), (~0.6297)), (* H1' *)
1657 :     ( (7.1940), (4.8830), (~2.7770)), (* C2' *)
1658 :     ( (6.8667), (3.9183), (~3.1647)), (* H2'' *)
1659 :     ( (8.5860), (5.0910), (~2.6140)), (* O2' *)
1660 :     ( (8.9510), (4.7626), (~1.7890)), (* H2' *)
1661 :     ( (6.5720), (6.0040), (~3.6090)), (* C3' *)
1662 :     ( (5.5636), (5.7066), (~3.8966)), (* H3' *)
1663 :     ( (7.3801), (6.3562), (~4.7350)), (* O3' *)
1664 :     ( (4.7150), (0.4910), (~0.1360)), (* N1 *)
1665 :     ( (6.3490), (2.1730), (~0.6020)), (* N3 *)
1666 :     ( (5.9530), (0.9650), (~0.2670)), (* C2 *)
1667 :     ( (5.2900), (2.9790), (~0.8260)), (* C4 *)
1668 :     ( (3.9720), (2.6390), (~0.7330)), (* C5 *)
1669 :     ( (3.6770), (1.3160), (~0.3660)), (* C6 *)
1670 :     (G (
1671 :     ( (6.8426), (0.0056), (~0.0019)), (* N2 *)
1672 :     ( (3.1660), (3.7290), (~1.0360)), (* N7 *)
1673 :     ( (5.3170), (4.2990), (~1.1930)), (* N9 *)
1674 :     ( (4.0100), (4.6780), (~1.2990)), (* C8 *)
1675 :     ( (2.4280), (0.8450), (~0.2360)), (* O6 *)
1676 :     ( (4.6151), (~0.4677), (0.1305)), (* H1 *)
1677 :     ( (6.6463), (~0.9463), (0.2729)), (* H21 *)
1678 :     ( (7.8170), (0.2642), (~0.0640)), (* H22 *)
1679 :     ( (3.4421), (5.5744), (~1.5482))) (* H8 *)
1680 :     )
1681 :     )
1682 :    
1683 :     val rG01
1684 :     = (
1685 :     ( (~0.0043), (~0.8175), (0.5759), (* dgf-base-tfo *)
1686 :     (0.2617), (~0.5567), (~0.7884),
1687 :     (0.9651), (0.1473), (0.2164),
1688 :     (0.0359), (8.3929), (0.5532)),
1689 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
1690 :     (~0.0433), (~0.4257), (0.9038),
1691 :     (~0.5788), (0.7480), (0.3246),
1692 :     (1.5227), (6.9114), (~7.0765)),
1693 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
1694 :     (0.4552), (0.6637), (0.5935),
1695 :     (~0.8042), (0.0203), (0.5941),
1696 :     (~6.9472), (~4.1186), (~5.9108)),
1697 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
1698 :     (~0.8247), (0.5587), (~0.0878),
1699 :     (0.0426), (0.2162), (0.9754),
1700 :     (6.2694), (~7.0540), (3.3316)),
1701 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
1702 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
1703 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
1704 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
1705 :     ( (5.4352), (8.2183), (~2.7757)), (* C5' *)
1706 :     ( (5.3830), (8.7883), (~1.8481)), (* H5' *)
1707 :     ( (5.7729), (8.7436), (~3.6691)), (* H5'' *)
1708 :     ( (6.4830), (7.1518), (~2.5252)), (* C4' *)
1709 :     ( (7.4749), (7.5972), (~2.4482)), (* H4' *)
1710 :     ( (6.1626), (6.4620), (~1.2827)), (* O4' *)
1711 :     ( (6.5431), (5.0992), (~1.3905)), (* C1' *)
1712 :     ( (7.2871), (4.9328), (~0.6114)), (* H1' *)
1713 :     ( (7.1852), (4.8935), (~2.7592)), (* C2' *)
1714 :     ( (6.8573), (3.9363), (~3.1645)), (* H2'' *)
1715 :     ( (8.5780), (5.1025), (~2.6046)), (* O2' *)
1716 :     ( (8.9516), (4.7577), (~1.7902)), (* H2' *)
1717 :     ( (6.5522), (6.0300), (~3.5612)), (* C3' *)
1718 :     ( (5.5420), (5.7356), (~3.8459)), (* H3' *)
1719 :     ( (7.3487), (6.4089), (~4.6867)), (* O3' *)
1720 :     ( (4.7442), (0.4514), (~0.1390)), (* N1 *)
1721 :     ( (6.3687), (2.1459), (~0.5926)), (* N3 *)
1722 :     ( (5.9795), (0.9335), (~0.2657)), (* C2 *)
1723 :     ( (5.3052), (2.9471), (~0.8125)), (* C4 *)
1724 :     ( (3.9891), (2.5987), (~0.7230)), (* C5 *)
1725 :     ( (3.7016), (1.2717), (~0.3647)), (* C6 *)
1726 :     (G (
1727 :     ( (6.8745), (~0.0224), (~0.0058)), (* N2 *)
1728 :     ( (3.1770), (3.6859), (~1.0198)), (* N7 *)
1729 :     ( (5.3247), (4.2695), (~1.1710)), (* N9 *)
1730 :     ( (4.0156), (4.6415), (~1.2759)), (* C8 *)
1731 :     ( (2.4553), (0.7925), (~0.2390)), (* O6 *)
1732 :     ( (4.6497), (~0.5095), (0.1212)), (* H1 *)
1733 :     ( (6.6836), (~0.9771), (0.2627)), (* H21 *)
1734 :     ( (7.8474), (0.2424), (~0.0653)), (* H22 *)
1735 :     ( (3.4426), (5.5361), (~1.5199))) (* H8 *)
1736 :     )
1737 :     )
1738 :    
1739 :     val rG02
1740 :     = (
1741 :     ( (0.5566), (0.0449), (0.8296), (* dgf-base-tfo *)
1742 :     (0.5125), (0.7673), (~0.3854),
1743 :     (~0.6538), (0.6397), (0.4041),
1744 :     (~9.1161), (~3.7679), (~2.9968)),
1745 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
1746 :     (~0.0433), (~0.4257), (0.9038),
1747 :     (~0.5788), (0.7480), (0.3246),
1748 :     (1.5227), (6.9114), (~7.0765)),
1749 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
1750 :     (0.4552), (0.6637), (0.5935),
1751 :     (~0.8042), (0.0203), (0.5941),
1752 :     (~6.9472), (~4.1186), (~5.9108)),
1753 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
1754 :     (~0.8247), (0.5587), (~0.0878),
1755 :     (0.0426), (0.2162), (0.9754),
1756 :     (6.2694), (~7.0540), (3.3316)),
1757 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
1758 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
1759 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
1760 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
1761 :     ( (4.5778), (6.6594), (~4.0364)), (* C5' *)
1762 :     ( (4.9220), (7.1963), (~4.9204)), (* H5' *)
1763 :     ( (3.7996), (5.9091), (~4.1764)), (* H5'' *)
1764 :     ( (5.7873), (5.8869), (~3.5482)), (* C4' *)
1765 :     ( (6.0405), (5.0875), (~4.2446)), (* H4' *)
1766 :     ( (6.9135), (6.8036), (~3.4310)), (* O4' *)
1767 :     ( (7.7293), (6.4084), (~2.3392)), (* C1' *)
1768 :     ( (8.7078), (6.1815), (~2.7624)), (* H1' *)
1769 :     ( (7.1305), (5.1418), (~1.7347)), (* C2' *)
1770 :     ( (7.2040), (5.1982), (~0.6486)), (* H2'' *)
1771 :     ( (7.7417), (4.0392), (~2.3813)), (* O2' *)
1772 :     ( (8.6785), (4.1443), (~2.5630)), (* H2' *)
1773 :     ( (5.6666), (5.2728), (~2.1536)), (* C3' *)
1774 :     ( (5.1747), (5.9805), (~1.4863)), (* H3' *)
1775 :     ( (4.9997), (4.0086), (~2.1973)), (* O3' *)
1776 :     ( (10.3245), (8.5459), (1.5467)), (* N1 *)
1777 :     ( (9.8051), (6.9432), (~0.1497)), (* N3 *)
1778 :     ( (10.5175), (7.4328), (0.8408)), (* C2 *)
1779 :     ( (8.7523), (7.7422), (~0.4228)), (* C4 *)
1780 :     ( (8.4257), (8.9060), (0.2099)), (* C5 *)
1781 :     ( (9.2665), (9.3242), (1.2540)), (* C6 *)
1782 :     (G (
1783 :     ( (11.6077), (6.7966), (1.2752)), (* N2 *)
1784 :     ( (7.2750), (9.4537), (~0.3428)), (* N7 *)
1785 :     ( (7.7962), (7.5519), (~1.3859)), (* N9 *)
1786 :     ( (6.9479), (8.6157), (~1.2771)), (* C8 *)
1787 :     ( (9.0664), (10.4462), (1.9610)), (* O6 *)
1788 :     ( (10.9838), (8.7524), (2.2697)), (* H1 *)
1789 :     ( (12.2274), (7.0896), (2.0170)), (* H21 *)
1790 :     ( (11.8502), (5.9398), (0.7984)), (* H22 *)
1791 :     ( (6.0430), (8.9853), (~1.7594))) (* H8 *)
1792 :     )
1793 :     )
1794 :    
1795 :     val rG03
1796 :     = (
1797 :     ( (~0.5021), (0.0731), (0.8617), (* dgf-base-tfo *)
1798 :     (~0.8112), (0.3054), (~0.4986),
1799 :     (~0.2996), (~0.9494), (~0.0940),
1800 :     (6.4273), (~5.1944), (~3.7807)),
1801 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
1802 :     (~0.0433), (~0.4257), (0.9038),
1803 :     (~0.5788), (0.7480), (0.3246),
1804 :     (1.5227), (6.9114), (~7.0765)),
1805 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
1806 :     (0.4552), (0.6637), (0.5935),
1807 :     (~0.8042), (0.0203), (0.5941),
1808 :     (~6.9472), (~4.1186), (~5.9108)),
1809 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
1810 :     (~0.8247), (0.5587), (~0.0878),
1811 :     (0.0426), (0.2162), (0.9754),
1812 :     (6.2694), (~7.0540), (3.3316)),
1813 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
1814 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
1815 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
1816 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
1817 :     ( (4.1214), (6.7116), (~1.9049)), (* C5' *)
1818 :     ( (3.3465), (5.9610), (~2.0607)), (* H5' *)
1819 :     ( (4.0789), (7.2928), (~0.9837)), (* H5'' *)
1820 :     ( (5.4170), (5.9293), (~1.8186)), (* C4' *)
1821 :     ( (5.4506), (5.3400), (~0.9023)), (* H4' *)
1822 :     ( (5.5067), (5.0417), (~2.9703)), (* O4' *)
1823 :     ( (6.8650), (4.9152), (~3.3612)), (* C1' *)
1824 :     ( (7.1090), (3.8577), (~3.2603)), (* H1' *)
1825 :     ( (7.7152), (5.7282), (~2.3894)), (* C2' *)
1826 :     ( (8.5029), (6.2356), (~2.9463)), (* H2'' *)
1827 :     ( (8.1036), (4.8568), (~1.3419)), (* O2' *)
1828 :     ( (8.3270), (3.9651), (~1.6184)), (* H2' *)
1829 :     ( (6.7003), (6.7565), (~1.8911)), (* C3' *)
1830 :     ( (6.5898), (7.5329), (~2.6482)), (* H3' *)
1831 :     ( (7.0505), (7.2878), (~0.6105)), (* O3' *)
1832 :     ( (9.6740), (4.7656), (~7.6614)), (* N1 *)
1833 :     ( (9.0739), (4.3013), (~5.3941)), (* N3 *)
1834 :     ( (9.8416), (4.2192), (~6.4581)), (* C2 *)
1835 :     ( (7.9885), (5.0632), (~5.6446)), (* C4 *)
1836 :     ( (7.6822), (5.6856), (~6.8194)), (* C5 *)
1837 :     ( (8.5831), (5.5215), (~7.8840)), (* C6 *)
1838 :     (G (
1839 :     ( (10.9733), (3.5117), (~6.4286)), (* N2 *)
1840 :     ( (6.4857), (6.3816), (~6.7035)), (* N7 *)
1841 :     ( (6.9740), (5.3703), (~4.7760)), (* N9 *)
1842 :     ( (6.1133), (6.1613), (~5.4808)), (* C8 *)
1843 :     ( (8.4084), (6.0747), (~9.0933)), (* O6 *)
1844 :     ( (10.3759), (4.5855), (~8.3504)), (* H1 *)
1845 :     ( (11.6254), (3.3761), (~7.1879)), (* H21 *)
1846 :     ( (11.1917), (3.0460), (~5.5593)), (* H22 *)
1847 :     ( (5.1705), (6.6830), (~5.3167))) (* H8 *)
1848 :     )
1849 :     )
1850 :    
1851 :     val rG04
1852 :     = (
1853 :     ( (~0.5426), (~0.8175), (0.1929), (* dgf-base-tfo *)
1854 :     (0.8304), (~0.5567), (~0.0237),
1855 :     (0.1267), (0.1473), (0.9809),
1856 :     (~0.5075), (8.3929), (0.2229)),
1857 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
1858 :     (~0.0433), (~0.4257), (0.9038),
1859 :     (~0.5788), (0.7480), (0.3246),
1860 :     (1.5227), (6.9114), (~7.0765)),
1861 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
1862 :     (0.4552), (0.6637), (0.5935),
1863 :     (~0.8042), (0.0203), (0.5941),
1864 :     (~6.9472), (~4.1186), (~5.9108)),
1865 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
1866 :     (~0.8247), (0.5587), (~0.0878),
1867 :     (0.0426), (0.2162), (0.9754),
1868 :     (6.2694), (~7.0540), (3.3316)),
1869 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
1870 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
1871 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
1872 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
1873 :     ( (5.4352), (8.2183), (~2.7757)), (* C5' *)
1874 :     ( (5.3830), (8.7883), (~1.8481)), (* H5' *)
1875 :     ( (5.7729), (8.7436), (~3.6691)), (* H5'' *)
1876 :     ( (6.4830), (7.1518), (~2.5252)), (* C4' *)
1877 :     ( (7.4749), (7.5972), (~2.4482)), (* H4' *)
1878 :     ( (6.1626), (6.4620), (~1.2827)), (* O4' *)
1879 :     ( (6.5431), (5.0992), (~1.3905)), (* C1' *)
1880 :     ( (7.2871), (4.9328), (~0.6114)), (* H1' *)
1881 :     ( (7.1852), (4.8935), (~2.7592)), (* C2' *)
1882 :     ( (6.8573), (3.9363), (~3.1645)), (* H2'' *)
1883 :     ( (8.5780), (5.1025), (~2.6046)), (* O2' *)
1884 :     ( (8.9516), (4.7577), (~1.7902)), (* H2' *)
1885 :     ( (6.5522), (6.0300), (~3.5612)), (* C3' *)
1886 :     ( (5.5420), (5.7356), (~3.8459)), (* H3' *)
1887 :     ( (7.3487), (6.4089), (~4.6867)), (* O3' *)
1888 :     ( (3.6343), (2.6680), (2.0783)), (* N1 *)
1889 :     ( (5.4505), (3.9805), (1.2446)), (* N3 *)
1890 :     ( (4.7540), (3.3816), (2.1851)), (* C2 *)
1891 :     ( (4.8805), (3.7951), (0.0354)), (* C4 *)
1892 :     ( (3.7416), (3.0925), (~0.2305)), (* C5 *)
1893 :     ( (3.0873), (2.4980), (0.8606)), (* C6 *)
1894 :     (G (
1895 :     ( (5.1433), (3.4373), (3.4609)), (* N2 *)
1896 :     ( (3.4605), (3.1184), (~1.5906)), (* N7 *)
1897 :     ( (5.3247), (4.2695), (~1.1710)), (* N9 *)
1898 :     ( (4.4244), (3.8244), (~2.0953)), (* C8 *)
1899 :     ( (1.9600), (1.7805), (0.7462)), (* O6 *)
1900 :     ( (3.2489), (2.2879), (2.9191)), (* H1 *)
1901 :     ( (4.6785), (3.0243), (4.2568)), (* H21 *)
1902 :     ( (5.9823), (3.9654), (3.6539)), (* H22 *)
1903 :     ( (4.2675), (3.8876), (~3.1721))) (* H8 *)
1904 :     )
1905 :     )
1906 :    
1907 :     val rG05
1908 :     = (
1909 :     ( (~0.5891), (0.0449), (0.8068), (* dgf-base-tfo *)
1910 :     (0.5375), (0.7673), (0.3498),
1911 :     (~0.6034), (0.6397), (~0.4762),
1912 :     (~0.3019), (~3.7679), (~9.5913)),
1913 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
1914 :     (~0.0433), (~0.4257), (0.9038),
1915 :     (~0.5788), (0.7480), (0.3246),
1916 :     (1.5227), (6.9114), (~7.0765)),
1917 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
1918 :     (0.4552), (0.6637), (0.5935),
1919 :     (~0.8042), (0.0203), (0.5941),
1920 :     (~6.9472), (~4.1186), (~5.9108)),
1921 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
1922 :     (~0.8247), (0.5587), (~0.0878),
1923 :     (0.0426), (0.2162), (0.9754),
1924 :     (6.2694), (~7.0540), (3.3316)),
1925 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
1926 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
1927 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
1928 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
1929 :     ( (4.5778), (6.6594), (~4.0364)), (* C5' *)
1930 :     ( (4.9220), (7.1963), (~4.9204)), (* H5' *)
1931 :     ( (3.7996), (5.9091), (~4.1764)), (* H5'' *)
1932 :     ( (5.7873), (5.8869), (~3.5482)), (* C4' *)
1933 :     ( (6.0405), (5.0875), (~4.2446)), (* H4' *)
1934 :     ( (6.9135), (6.8036), (~3.4310)), (* O4' *)
1935 :     ( (7.7293), (6.4084), (~2.3392)), (* C1' *)
1936 :     ( (8.7078), (6.1815), (~2.7624)), (* H1' *)
1937 :     ( (7.1305), (5.1418), (~1.7347)), (* C2' *)
1938 :     ( (7.2040), (5.1982), (~0.6486)), (* H2'' *)
1939 :     ( (7.7417), (4.0392), (~2.3813)), (* O2' *)
1940 :     ( (8.6785), (4.1443), (~2.5630)), (* H2' *)
1941 :     ( (5.6666), (5.2728), (~2.1536)), (* C3' *)
1942 :     ( (5.1747), (5.9805), (~1.4863)), (* H3' *)
1943 :     ( (4.9997), (4.0086), (~2.1973)), (* O3' *)
1944 :     ( (10.2594), (10.6774), (~1.0056)), (* N1 *)
1945 :     ( (9.7528), (8.7080), (~2.2631)), (* N3 *)
1946 :     ( (10.4471), (9.7876), (~1.9791)), (* C2 *)
1947 :     ( (8.7271), (8.5575), (~1.3991)), (* C4 *)
1948 :     ( (8.4100), (9.3803), (~0.3580)), (* C5 *)
1949 :     ( (9.2294), (10.5030), (~0.1574)), (* C6 *)
1950 :     (G (
1951 :     ( (11.5110), (10.1256), (~2.7114)), (* N2 *)
1952 :     ( (7.2891), (8.9068), (0.3121)), (* N7 *)
1953 :     ( (7.7962), (7.5519), (~1.3859)), (* N9 *)
1954 :     ( (6.9702), (7.8292), (~0.3353)), (* C8 *)
1955 :     ( (9.0349), (11.3951), (0.8250)), (* O6 *)
1956 :     ( (10.9013), (11.4422), (~0.9512)), (* H1 *)
1957 :     ( (12.1031), (10.9341), (~2.5861)), (* H21 *)
1958 :     ( (11.7369), (9.5180), (~3.4859)), (* H22 *)
1959 :     ( (6.0888), (7.3990), (0.1403))) (* H8 *)
1960 :     )
1961 :     )
1962 :    
1963 :     val rG06
1964 :     = (
1965 :     ( (~0.9815), (0.0731), (~0.1772), (* dgf-base-tfo *)
1966 :     (0.1912), (0.3054), (~0.9328),
1967 :     (~0.0141), (~0.9494), (~0.3137),
1968 :     (5.7506), (~5.1944), (4.7470)),
1969 :     ( (~0.8143), (~0.5091), (~0.2788), (* P-O3'-275-tfo *)
1970 :     (~0.0433), (~0.4257), (0.9038),
1971 :     (~0.5788), (0.7480), (0.3246),
1972 :     (1.5227), (6.9114), (~7.0765)),
1973 :     ( (0.3822), (~0.7477), (0.5430), (* P-O3'-180-tfo *)
1974 :     (0.4552), (0.6637), (0.5935),
1975 :     (~0.8042), (0.0203), (0.5941),
1976 :     (~6.9472), (~4.1186), (~5.9108)),
1977 :     ( (0.5640), (0.8007), (~0.2022), (* P-O3'-60-tfo *)
1978 :     (~0.8247), (0.5587), (~0.0878),
1979 :     (0.0426), (0.2162), (0.9754),
1980 :     (6.2694), (~7.0540), (3.3316)),
1981 :     ( (2.8930), (8.5380), (~3.3280)), (* P *)
1982 :     ( (1.6980), (7.6960), (~3.5570)), (* O1P *)
1983 :     ( (3.2260), (9.5010), (~4.4020)), (* O2P *)
1984 :     ( (4.1590), (7.6040), (~3.0340)), (* O5' *)
1985 :     ( (4.1214), (6.7116), (~1.9049)), (* C5' *)
1986 :     ( (3.3465), (5.9610), (~2.0607)), (* H5' *)
1987 :     ( (4.0789), (7.2928), (~0.9837)), (* H5'' *)
1988 :     ( (5.4170), (5.9293), (~1.8186)), (* C4' *)
1989 :     ( (5.4506), (5.3400), (~0.9023)), (* H4' *)
1990 :     ( (5.5067), (5.0417), (~2.9703)), (* O4' *)
1991 :     ( (6.8650), (4.9152), (~3.3612)), (* C1' *)
1992 :     ( (7.1090), (3.8577), (~3.2603)), (* H1' *)
1993 :     ( (7.7152), (5.7282), (~2.3894)), (* C2' *)
1994 :     ( (8.5029), (6.2356), (~2.9463)), (* H2'' *)
1995 :     ( (8.1036), (4.8568), (~1.3419)), (* O2' *)
1996 :     ( (8.3270), (3.9651), (~1.6184)), (* H2' *)
1997 :     ( (6.7003), (6.7565), (~1.8911)), (* C3' *)
1998 :     ( (6.5898), (7.5329), (~2.6482)), (* H3' *)
1999 :     ( (7.0505), (7.2878), (~0.6105)), (* O3' *)
2000 :     ( (6.6624), (3.5061), (~8.2986)), (* N1 *)
2001 :     ( (6.5810), (3.2570), (~5.9221)), (* N3 *)
2002 :     ( (6.5151), (2.8263), (~7.1625)), (* C2 *)
2003 :     ( (6.8364), (4.5817), (~5.8882)), (* C4 *)
2004 :     ( (7.0116), (5.4064), (~6.9609)), (* C5 *)
2005 :     ( (6.9173), (4.8260), (~8.2361)), (* C6 *)
2006 :     (G (
2007 :     ( (6.2717), (1.5402), (~7.4250)), (* N2 *)
2008 :     ( (7.2573), (6.7070), (~6.5394)), (* N7 *)
2009 :     ( (6.9740), (5.3703), (~4.7760)), (* N9 *)
2010 :     ( (7.2238), (6.6275), (~5.2453)), (* C8 *)
2011 :     ( (7.0668), (5.5163), (~9.3763)), (* O6 *)
2012 :     ( (6.5754), (2.9964), (~9.1545)), (* H1 *)
2013 :     ( (6.1908), (1.1105), (~8.3354)), (* H21 *)
2014 :     ( (6.1346), (0.9352), (~6.6280)), (* H22 *)
2015 :     ( (7.4108), (7.6227), (~4.8418))) (* H8 *)
2016 :     )
2017 :     )
2018 :    
2019 :     val rG07
2020 :     = (
2021 :     ( (0.0894), (~0.6059), (0.7905), (* dgf-base-tfo *)
2022 :     (~0.6810), (0.5420), (0.4924),
2023 :     (~0.7268), (~0.5824), (~0.3642),
2024 :     (34.1424), (45.9610), (~11.8600)),
2025 :     ( (~0.8644), (~0.4956), (~0.0851), (* P-O3'-275-tfo *)
2026 :     (~0.0427), (0.2409), (~0.9696),
2027 :     (0.5010), (~0.8345), (~0.2294),
2028 :     (4.0167), (54.5377), (12.4779)),
2029 :     ( (0.3706), (~0.6167), (0.6945), (* P-O3'-180-tfo *)
2030 :     (~0.2867), (~0.7872), (~0.5460),
2031 :     (0.8834), (0.0032), (~0.4686),
2032 :     (~52.9020), (18.6313), (~0.6709)),
2033 :     ( (0.4155), (0.9025), (~0.1137), (* P-O3'-60-tfo *)
2034 :     (0.9040), (~0.4236), (~0.0582),
2035 :     (~0.1007), (~0.0786), (~0.9918),
2036 :     (~7.6624), (~25.2080), (49.5181)),
2037 :     ( (31.3810), (0.1400), (47.5810)), (* P *)
2038 :     ( (29.9860), (0.6630), (47.6290)), (* O1P *)
2039 :     ( (31.7210), (~0.6460), (48.8090)), (* O2P *)
2040 :     ( (32.4940), (1.2540), (47.2740)), (* O5' *)
2041 :     ( (33.8709), (0.7918), (47.2113)), (* C5' *)
2042 :     ( (34.1386), (0.5870), (46.1747)), (* H5' *)
2043 :     ( (34.0186), (~0.0095), (47.9353)), (* H5'' *)
2044 :     ( (34.7297), (1.9687), (47.6685)), (* C4' *)
2045 :     ( (35.7723), (1.6845), (47.8113)), (* H4' *)
2046 :     ( (34.6455), (2.9768), (46.6660)), (* O4' *)
2047 :     ( (34.1690), (4.1829), (47.2627)), (* C1' *)
2048 :     ( (35.0437), (4.7633), (47.5560)), (* H1' *)
2049 :     ( (33.4145), (3.7532), (48.4954)), (* C2' *)
2050 :     ( (32.4340), (3.3797), (48.2001)), (* H2'' *)
2051 :     ( (33.3209), (4.6953), (49.5217)), (* O2' *)
2052 :     ( (33.2374), (5.6059), (49.2295)), (* H2' *)
2053 :     ( (34.2724), (2.5970), (48.9773)), (* C3' *)
2054 :     ( (33.6373), (1.8935), (49.5157)), (* H3' *)
2055 :     ( (35.3453), (3.1884), (49.7285)), (* O3' *)
2056 :     ( (34.0511), (7.8930), (43.7791)), (* N1 *)
2057 :     ( (34.9937), (6.3369), (45.3199)), (* N3 *)
2058 :     ( (35.0882), (7.3126), (44.4200)), (* C2 *)
2059 :     ( (33.7190), (5.9650), (45.5374)), (* C4 *)
2060 :     ( (32.5845), (6.4770), (44.9458)), (* C5 *)
2061 :     ( (32.7430), (7.5179), (43.9914)), (* C6 *)
2062 :     (G (
2063 :     ( (36.3030), (7.7827), (44.1036)), (* N2 *)
2064 :     ( (31.4499), (5.8335), (45.4368)), (* N7 *)
2065 :     ( (33.2760), (4.9817), (46.4043)), (* N9 *)
2066 :     ( (31.9235), (4.9639), (46.2934)), (* C8 *)
2067 :     ( (31.8602), (8.1000), (43.3695)), (* O6 *)
2068 :     ( (34.2623), (8.6223), (43.1283)), (* H1 *)
2069 :     ( (36.5188), (8.5081), (43.4347)), (* H21 *)
2070 :     ( (37.0888), (7.3524), (44.5699)), (* H22 *)
2071 :     ( (31.0815), (4.4201), (46.7218))) (* H8 *)
2072 :     )
2073 :     )
2074 :    
2075 :     val rG08
2076 :     = (
2077 :     ( (0.2224), (0.6335), (0.7411), (* dgf-base-tfo *)
2078 :     (~0.3644), (~0.6510), (0.6659),
2079 :     (0.9043), (~0.4181), (0.0861),
2080 :     (~47.6824), (~0.5823), (~31.7554)),
2081 :     ( (~0.8644), (~0.4956), (~0.0851), (* P-O3'-275-tfo *)
2082 :     (~0.0427), (0.2409), (~0.9696),
2083 :     (0.5010), (~0.8345), (~0.2294),
2084 :     (4.0167), (54.5377), (12.4779)),
2085 :     ( (0.3706), (~0.6167), (0.6945), (* P-O3'-180-tfo *)
2086 :     (~0.2867), (~0.7872), (~0.5460),
2087 :     (0.8834), (0.0032), (~0.4686),
2088 :     (~52.9020), (18.6313), (~0.6709)),
2089 :     ( (0.4155), (0.9025), (~0.1137), (* P-O3'-60-tfo *)
2090 :     (0.9040), (~0.4236), (~0.0582),
2091 :     (~0.1007), (~0.0786), (~0.9918),
2092 :     (~7.6624), (~25.2080), (49.5181)),
2093 :     ( (31.3810), (0.1400), (47.5810)), (* P *)
2094 :     ( (29.9860), (0.6630), (47.6290)), (* O1P *)
2095 :     ( (31.7210), (~0.6460), (48.8090)), (* O2P *)
2096 :     ( (32.4940), (1.2540), (47.2740)), (* O5' *)
2097 :     ( (32.5924), (2.3488), (48.2255)), (* C5' *)
2098 :     ( (33.3674), (2.1246), (48.9584)), (* H5' *)
2099 :     ( (31.5994), (2.5917), (48.6037)), (* H5'' *)
2100 :     ( (33.0722), (3.5577), (47.4258)), (* C4' *)
2101 :     ( (33.0310), (4.4778), (48.0089)), (* H4' *)
2102 :     ( (34.4173), (3.3055), (47.0316)), (* O4' *)
2103 :     ( (34.5056), (3.3910), (45.6094)), (* C1' *)
2104 :     ( (34.7881), (4.4152), (45.3663)), (* H1' *)
2105 :     ( (33.1122), (3.1198), (45.1010)), (* C2' *)
2106 :     ( (32.9230), (2.0469), (45.1369)), (* H2'' *)
2107 :     ( (32.7946), (3.6590), (43.8529)), (* O2' *)
2108 :     ( (33.5170), (3.6707), (43.2207)), (* H2' *)
2109 :     ( (32.2730), (3.8173), (46.1566)), (* C3' *)
2110 :     ( (31.3094), (3.3123), (46.2244)), (* H3' *)
2111 :     ( (32.2391), (5.2039), (45.7807)), (* O3' *)
2112 :     ( (39.3337), (2.7157), (44.1441)), (* N1 *)
2113 :     ( (37.4430), (3.8242), (45.0824)), (* N3 *)
2114 :     ( (38.7276), (3.7646), (44.7403)), (* C2 *)
2115 :     ( (36.7791), (2.6963), (44.7704)), (* C4 *)
2116 :     ( (37.2860), (1.5653), (44.1678)), (* C5 *)
2117 :     ( (38.6647), (1.5552), (43.8235)), (* C6 *)
2118 :     (G (
2119 :     ( (39.5123), (4.8216), (44.9936)), (* N2 *)
2120 :     ( (36.2829), (0.6110), (44.0078)), (* N7 *)
2121 :     ( (35.4394), (2.4314), (44.9931)), (* N9 *)
2122 :     ( (35.2180), (1.1815), (44.5128)), (* C8 *)
2123 :     ( (39.2907), (0.6514), (43.2796)), (* O6 *)
2124 :     ( (40.3076), (2.8048), (43.9352)), (* H1 *)
2125 :     ( (40.4994), (4.9066), (44.7977)), (* H21 *)
2126 :     ( (39.0738), (5.6108), (45.4464)), (* H22 *)
2127 :     ( (34.3856), (0.4842), (44.4185))) (* H8 *)
2128 :     )
2129 :     )
2130 :    
2131 :     val rG09
2132 :     = (
2133 :     ( (~0.9699), (~0.1688), (~0.1753), (* dgf-base-tfo *)
2134 :     (~0.1050), (~0.3598), (0.9271),
2135 :     (~0.2196), (0.9176), (0.3312),
2136 :     (45.6217), (~38.9484), (~12.3208)),
2137 :     ( (~0.8644), (~0.4956), (~0.0851), (* P-O3'-275-tfo *)
2138 :     (~0.0427), (0.2409), (~0.9696),
2139 :     (0.5010), (~0.8345), (~0.2294),
2140 :     (4.0167), (54.5377), (12.4779)),
2141 :     ( (0.3706), (~0.6167), (0.6945), (* P-O3'-180-tfo *)
2142 :     (~0.2867), (~0.7872), (~0.5460),
2143 :     (0.8834), (0.0032), (~0.4686),
2144 :     (~52.9020), (18.6313), (~0.6709)),
2145 :     ( (0.4155), (0.9025), (~0.1137), (* P-O3'-60-tfo *)
2146 :     (0.9040), (~0.4236), (~0.0582),
2147 :     (~0.1007), (~0.0786), (~0.9918),
2148 :     (~7.6624), (~25.2080), (49.5181)),
2149 :     ( (31.3810), (0.1400), (47.5810)), (* P *)
2150 :     ( (29.9860), (0.6630), (47.6290)), (* O1P *)
2151 :     ( (31.7210), (~0.6460), (48.8090)), (* O2P *)
2152 :     ( (32.4940), (1.2540), (47.2740)), (* O5' *)
2153 :     ( (33.8709), (0.7918), (47.2113)), (* C5' *)
2154 :     ( (34.1386), (0.5870), (46.1747)), (* H5' *)
2155 :     ( (34.0186), (~0.0095), (47.9353)), (* H5'' *)
2156 :     ( (34.7297), (1.9687), (47.6685)), (* C4' *)
2157 :     ( (34.5880), (2.8482), (47.0404)), (* H4' *)
2158 :     ( (34.3575), (2.2770), (49.0081)), (* O4' *)
2159 :     ( (35.5157), (2.1993), (49.8389)), (* C1' *)
2160 :     ( (35.9424), (3.2010), (49.8893)), (* H1' *)
2161 :     ( (36.4701), (1.2820), (49.1169)), (* C2' *)
2162 :     ( (36.1545), (0.2498), (49.2683)), (* H2'' *)
2163 :     ( (37.8262), (1.4547), (49.4008)), (* O2' *)
2164 :     ( (38.0227), (1.6945), (50.3094)), (* H2' *)
2165 :     ( (36.2242), (1.6797), (47.6725)), (* C3' *)
2166 :     ( (36.4297), (0.8197), (47.0351)), (* H3' *)
2167 :     ( (37.0289), (2.8480), (47.4426)), (* O3' *)
2168 :     ( (34.3005), (3.5042), (54.6070)), (* N1 *)
2169 :     ( (34.7693), (3.7936), (52.2874)), (* N3 *)
2170 :     ( (34.4484), (4.2541), (53.4939)), (* C2 *)
2171 :     ( (34.9354), (2.4584), (52.2785)), (* C4 *)
2172 :     ( (34.8092), (1.5915), (53.3422)), (* C5 *)
2173 :     ( (34.4646), (2.1367), (54.6085)), (* C6 *)
2174 :     (G (
2175 :     ( (34.2514), (5.5708), (53.6503)), (* N2 *)
2176 :     ( (35.0641), (0.2835), (52.9337)), (* N7 *)
2177 :     ( (35.2669), (1.6690), (51.1915)), (* N9 *)
2178 :     ( (35.3288), (0.3954), (51.6563)), (* C8 *)
2179 :     ( (34.3151), (1.5317), (55.6650)), (* O6 *)
2180 :     ( (34.0623), (3.9797), (55.4539)), (* H1 *)
2181 :     ( (33.9950), (6.0502), (54.5016)), (* H21 *)
2182 :     ( (34.3512), (6.1432), (52.8242)), (* H22 *)
2183 :     ( (35.5414), (~0.6006), (51.2679))) (* H8 *)
2184 :     )
2185 :     )
2186 :    
2187 :     val rG10
2188 :     = (
2189 :     ( (~0.0980), (~0.9723), (0.2122), (* dgf-base-tfo *)
2190 :     (~0.9731), (0.1383), (0.1841),
2191 :     (~0.2083), (~0.1885), (~0.9597),
2192 :     (17.8469), (38.8265), (37.0475)),
2193 :     ( (~0.8644), (~0.4956), (~0.0851), (* P-O3'-275-tfo *)
2194 :     (~0.0427), (0.2409), (~0.9696),
2195 :     (0.5010), (~0.8345), (~0.2294),
2196 :     (4.0167), (54.5377), (12.4779)),
2197 :     ( (0.3706), (~0.6167), (0.6945), (* P-O3'-180-tfo *)
2198 :     (~0.2867), (~0.7872), (~0.5460),
2199 :     (0.8834), (0.0032), (~0.4686),
2200 :     (~52.9020), (18.6313), (~0.6709)),
2201 :     ( (0.4155), (0.9025), (~0.1137), (* P-O3'-60-tfo *)
2202 :     (0.9040), (~0.4236), (~0.0582),
2203 :     (~0.1007), (~0.0786), (~0.9918),
2204 :     (~7.6624), (~25.2080), (49.5181)),
2205 :     ( (31.3810), (0.1400), (47.5810)), (* P *)
2206 :     ( (29.9860), (0.6630), (47.6290)), (* O1P *)
2207 :     ( (31.7210), (~0.6460), (48.8090)), (* O2P *)
2208 :     ( (32.4940), (1.2540), (47.2740)), (* O5' *)
2209 :     ( (32.5924), (2.3488), (48.2255)), (* C5' *)
2210 :     ( (33.3674), (2.1246), (48.9584)), (* H5' *)
2211 :     ( (31.5994), (2.5917), (48.6037)), (* H5'' *)
2212 :     ( (33.0722), (3.5577), (47.4258)), (* C4' *)
2213 :     ( (34.0333), (3.3761), (46.9447)), (* H4' *)
2214 :     ( (32.0890), (3.8338), (46.4332)), (* O4' *)
2215 :     ( (31.6377), (5.1787), (46.5914)), (* C1' *)
2216 :     ( (32.2499), (5.8016), (45.9392)), (* H1' *)
2217 :     ( (31.9167), (5.5319), (48.0305)), (* C2' *)
2218 :     ( (31.1507), (5.0820), (48.6621)), (* H2'' *)
2219 :     ( (32.0865), (6.8890), (48.3114)), (* O2' *)
2220 :     ( (31.5363), (7.4819), (47.7942)), (* H2' *)
2221 :     ( (33.2398), (4.8224), (48.2563)), (* C3' *)
2222 :     ( (33.3166), (4.5570), (49.3108)), (* H3' *)
2223 :     ( (34.2528), (5.7056), (47.7476)), (* O3' *)
2224 :     ( (28.2782), (6.3049), (42.9364)), (* N1 *)
2225 :     ( (30.4001), (5.8547), (43.9258)), (* N3 *)
2226 :     ( (29.6195), (6.1568), (42.8913)), (* C2 *)
2227 :     ( (29.7005), (5.7006), (45.0649)), (* C4 *)
2228 :     ( (28.3383), (5.8221), (45.2343)), (* C5 *)
2229 :     ( (27.5519), (6.1461), (44.0958)), (* C6 *)
2230 :     (G (
2231 :     ( (30.1838), (6.3385), (41.6890)), (* N2 *)
2232 :     ( (27.9936), (5.5926), (46.5651)), (* N7 *)
2233 :     ( (30.2046), (5.3825), (46.3136)), (* N9 *)
2234 :     ( (29.1371), (5.3398), (47.1506)), (* C8 *)
2235 :     ( (26.3361), (6.3024), (44.0495)), (* O6 *)
2236 :     ( (27.8122), (6.5394), (42.0833)), (* H1 *)
2237 :     ( (29.7125), (6.5595), (40.8235)), (* H21 *)
2238 :     ( (31.1859), (6.2231), (41.6389)), (* H22 *)
2239 :     ( (28.9406), (5.1504), (48.2059))) (* H8 *)
2240 :     )
2241 :     )
2242 :    
2243 :     val rGs = [rG01,rG02,rG03,rG04,rG05,rG06,rG07,rG08,rG09,rG10]
2244 :    
2245 :     val rU
2246 :     = (
2247 :     ( (~0.0359), (~0.8071), (0.5894), (* dgf-base-tfo *)
2248 :     (~0.2669), (0.5761), (0.7726),
2249 :     (~0.9631), (~0.1296), (~0.2361),
2250 :     (0.1584), (8.3434), (0.5434)),
2251 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
2252 :     (0.0649), (0.4366), (~0.8973),
2253 :     (0.5521), (~0.7648), (~0.3322),
2254 :     (1.6833), (6.8060), (~7.0011)),
2255 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
2256 :     (~0.4628), (~0.6450), (~0.6082),
2257 :     (0.8168), (~0.0436), (~0.5753),
2258 :     (~6.8179), (~3.9778), (~5.9887)),
2259 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
2260 :     (0.8103), (~0.5790), (0.0906),
2261 :     (~0.0255), (~0.1894), (~0.9816),
2262 :     (6.1203), (~7.1051), (3.1984)),
2263 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
2264 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
2265 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
2266 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
2267 :     ( (5.2430), (~8.2420), (2.8260)), (* C5' *)
2268 :     ( (5.1974), (~8.8497), (1.9223)), (* H5' *)
2269 :     ( (5.5548), (~8.7348), (3.7469)), (* H5'' *)
2270 :     ( (6.3140), (~7.2060), (2.5510)), (* C4' *)
2271 :     ( (7.2954), (~7.6762), (2.4898)), (* H4' *)
2272 :     ( (6.0140), (~6.5420), (1.2890)), (* O4' *)
2273 :     ( (6.4190), (~5.1840), (1.3620)), (* C1' *)
2274 :     ( (7.1608), (~5.0495), (0.5747)), (* H1' *)
2275 :     ( (7.0760), (~4.9560), (2.7270)), (* C2' *)
2276 :     ( (6.7770), (~3.9803), (3.1099)), (* H2'' *)
2277 :     ( (8.4500), (~5.1930), (2.5810)), (* O2' *)
2278 :     ( (8.8309), (~4.8755), (1.7590)), (* H2' *)
2279 :     ( (6.4060), (~6.0590), (3.5580)), (* C3' *)
2280 :     ( (5.4021), (~5.7313), (3.8281)), (* H3' *)
2281 :     ( (7.1570), (~6.4240), (4.7070)), (* O3' *)
2282 :     ( (5.2170), (~4.3260), (1.1690)), (* N1 *)
2283 :     ( (4.2960), (~2.2560), (0.6290)), (* N3 *)
2284 :     ( (5.4330), (~3.0200), (0.7990)), (* C2 *)
2285 :     ( (2.9930), (~2.6780), (0.7940)), (* C4 *)
2286 :     ( (2.8670), (~4.0630), (1.1830)), (* C5 *)
2287 :     ( (3.9570), (~4.8300), (1.3550)), (* C6 *)
2288 :     (U (
2289 :     ( (6.5470), (~2.5560), (0.6290)), (* O2 *)
2290 :     ( (2.0540), (~1.9000), (0.6130)), (* O4 *)
2291 :     ( (4.4300), (~1.3020), (0.3600)), (* H3 *)
2292 :     ( (1.9590), (~4.4570), (1.3250)), (* H5 *)
2293 :     ( (3.8460), (~5.7860), (1.6240))) (* H6 *)
2294 :     )
2295 :     )
2296 :    
2297 :     val rU01
2298 :     = (
2299 :     ( (~0.0137), (~0.8012), (0.5983), (* dgf-base-tfo *)
2300 :     (~0.2523), (0.5817), (0.7733),
2301 :     (~0.9675), (~0.1404), (~0.2101),
2302 :     (0.2031), (8.3874), (0.4228)),
2303 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
2304 :     (0.0649), (0.4366), (~0.8973),
2305 :     (0.5521), (~0.7648), (~0.3322),
2306 :     (1.6833), (6.8060), (~7.0011)),
2307 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
2308 :     (~0.4628), (~0.6450), (~0.6082),
2309 :     (0.8168), (~0.0436), (~0.5753),
2310 :     (~6.8179), (~3.9778), (~5.9887)),
2311 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
2312 :     (0.8103), (~0.5790), (0.0906),
2313 :     (~0.0255), (~0.1894), (~0.9816),
2314 :     (6.1203), (~7.1051), (3.1984)),
2315 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
2316 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
2317 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
2318 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
2319 :     ( (5.2416), (~8.2422), (2.8181)), (* C5' *)
2320 :     ( (5.2050), (~8.8128), (1.8901)), (* H5' *)
2321 :     ( (5.5368), (~8.7738), (3.7227)), (* H5'' *)
2322 :     ( (6.3232), (~7.2037), (2.6002)), (* C4' *)
2323 :     ( (7.3048), (~7.6757), (2.5577)), (* H4' *)
2324 :     ( (6.0635), (~6.5092), (1.3456)), (* O4' *)
2325 :     ( (6.4697), (~5.1547), (1.4629)), (* C1' *)
2326 :     ( (7.2354), (~5.0043), (0.7018)), (* H1' *)
2327 :     ( (7.0856), (~4.9610), (2.8521)), (* C2' *)
2328 :     ( (6.7777), (~3.9935), (3.2487)), (* H2'' *)
2329 :     ( (8.4627), (~5.1992), (2.7423)), (* O2' *)
2330 :     ( (8.8693), (~4.8638), (1.9399)), (* H2' *)
2331 :     ( (6.3877), (~6.0809), (3.6362)), (* C3' *)
2332 :     ( (5.3770), (~5.7562), (3.8834)), (* H3' *)
2333 :     ( (7.1024), (~6.4754), (4.7985)), (* O3' *)
2334 :     ( (5.2764), (~4.2883), (1.2538)), (* N1 *)
2335 :     ( (4.3777), (~2.2062), (0.7229)), (* N3 *)
2336 :     ( (5.5069), (~2.9779), (0.9088)), (* C2 *)
2337 :     ( (3.0693), (~2.6246), (0.8500)), (* C4 *)
2338 :     ( (2.9279), (~4.0146), (1.2149)), (* C5 *)
2339 :     ( (4.0101), (~4.7892), (1.4017)), (* C6 *)
2340 :     (U (
2341 :     ( (6.6267), (~2.5166), (0.7728)), (* O2 *)
2342 :     ( (2.1383), (~1.8396), (0.6581)), (* O4 *)
2343 :     ( (4.5223), (~1.2489), (0.4716)), (* H3 *)
2344 :     ( (2.0151), (~4.4065), (1.3290)), (* H5 *)
2345 :     ( (3.8886), (~5.7486), (1.6535))) (* H6 *)
2346 :     )
2347 :     )
2348 :    
2349 :     val rU02
2350 :     = (
2351 :     ( (0.5141), (0.0246), (0.8574), (* dgf-base-tfo *)
2352 :     (~0.5547), (~0.7529), (0.3542),
2353 :     (0.6542), (~0.6577), (~0.3734),
2354 :     (~9.1111), (~3.4598), (~3.2939)),
2355 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
2356 :     (0.0649), (0.4366), (~0.8973),
2357 :     (0.5521), (~0.7648), (~0.3322),
2358 :     (1.6833), (6.8060), (~7.0011)),
2359 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
2360 :     (~0.4628), (~0.6450), (~0.6082),
2361 :     (0.8168), (~0.0436), (~0.5753),
2362 :     (~6.8179), (~3.9778), (~5.9887)),
2363 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
2364 :     (0.8103), (~0.5790), (0.0906),
2365 :     (~0.0255), (~0.1894), (~0.9816),
2366 :     (6.1203), (~7.1051), (3.1984)),
2367 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
2368 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
2369 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
2370 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
2371 :     ( (4.3825), (~6.6585), (4.0489)), (* C5' *)
2372 :     ( (4.6841), (~7.2019), (4.9443)), (* H5' *)
2373 :     ( (3.6189), (~5.8889), (4.1625)), (* H5'' *)
2374 :     ( (5.6255), (~5.9175), (3.5998)), (* C4' *)
2375 :     ( (5.8732), (~5.1228), (4.3034)), (* H4' *)
2376 :     ( (6.7337), (~6.8605), (3.5222)), (* O4' *)
2377 :     ( (7.5932), (~6.4923), (2.4548)), (* C1' *)
2378 :     ( (8.5661), (~6.2983), (2.9064)), (* H1' *)
2379 :     ( (7.0527), (~5.2012), (1.8322)), (* C2' *)
2380 :     ( (7.1627), (~5.2525), (0.7490)), (* H2'' *)
2381 :     ( (7.6666), (~4.1249), (2.4880)), (* O2' *)
2382 :     ( (8.5944), (~4.2543), (2.6981)), (* H2' *)
2383 :     ( (5.5661), (~5.3029), (2.2009)), (* C3' *)
2384 :     ( (5.0841), (~6.0018), (1.5172)), (* H3' *)
2385 :     ( (4.9062), (~4.0452), (2.2042)), (* O3' *)
2386 :     ( (7.6298), (~7.6136), (1.4752)), (* N1 *)
2387 :     ( (8.6945), (~8.7046), (~0.2857)), (* N3 *)
2388 :     ( (8.6943), (~7.6514), (0.6066)), (* C2 *)
2389 :     ( (7.7426), (~9.6987), (~0.3801)), (* C4 *)
2390 :     ( (6.6642), (~9.5742), (0.5722)), (* C5 *)
2391 :     ( (6.6391), (~8.5592), (1.4526)), (* C6 *)
2392 :     (U (
2393 :     ( (9.5840), (~6.8186), (0.6136)), (* O2 *)
2394 :     ( (7.8505), (~10.5925), (~1.2223)), (* O4 *)
2395 :     ( (9.4601), (~8.7514), (~0.9277)), (* H3 *)
2396 :     ( (5.9281), (~10.2509), (0.5782)), (* H5 *)
2397 :     ( (5.8831), (~8.4931), (2.1028))) (* H6 *)
2398 :     )
2399 :     )
2400 :    
2401 :     val rU03
2402 :     = (
2403 :     ( (~0.4993), (0.0476), (0.8651), (* dgf-base-tfo *)
2404 :     (0.8078), (~0.3353), (0.4847),
2405 :     (0.3132), (0.9409), (0.1290),
2406 :     (6.2989), (~5.2303), (~3.8577)),
2407 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
2408 :     (0.0649), (0.4366), (~0.8973),
2409 :     (0.5521), (~0.7648), (~0.3322),
2410 :     (1.6833), (6.8060), (~7.0011)),
2411 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
2412 :     (~0.4628), (~0.6450), (~0.6082),
2413 :     (0.8168), (~0.0436), (~0.5753),
2414 :     (~6.8179), (~3.9778), (~5.9887)),
2415 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
2416 :     (0.8103), (~0.5790), (0.0906),
2417 :     (~0.0255), (~0.1894), (~0.9816),
2418 :     (6.1203), (~7.1051), (3.1984)),
2419 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
2420 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
2421 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
2422 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
2423 :     ( (3.9938), (~6.7042), (1.9023)), (* C5' *)
2424 :     ( (3.2332), (~5.9343), (2.0319)), (* H5' *)
2425 :     ( (3.9666), (~7.2863), (0.9812)), (* H5'' *)
2426 :     ( (5.3098), (~5.9546), (1.8564)), (* C4' *)
2427 :     ( (5.3863), (~5.3702), (0.9395)), (* H4' *)
2428 :     ( (5.3851), (~5.0642), (3.0076)), (* O4' *)
2429 :     ( (6.7315), (~4.9724), (3.4462)), (* C1' *)
2430 :     ( (7.0033), (~3.9202), (3.3619)), (* H1' *)
2431 :     ( (7.5997), (~5.8018), (2.4948)), (* C2' *)
2432 :     ( (8.3627), (~6.3254), (3.0707)), (* H2'' *)
2433 :     ( (8.0410), (~4.9501), (1.4724)), (* O2' *)
2434 :     ( (8.2781), (~4.0644), (1.7570)), (* H2' *)
2435 :     ( (6.5701), (~6.8129), (1.9714)), (* C3' *)
2436 :     ( (6.4186), (~7.5809), (2.7299)), (* H3' *)
2437 :     ( (6.9357), (~7.3841), (0.7235)), (* O3' *)
2438 :     ( (6.8024), (~5.4718), (4.8475)), (* N1 *)
2439 :     ( (7.9218), (~5.5700), (6.8877)), (* N3 *)
2440 :     ( (7.8908), (~5.0886), (5.5944)), (* C2 *)
2441 :     ( (6.9789), (~6.3827), (7.4823)), (* C4 *)
2442 :     ( (5.8742), (~6.7319), (6.6202)), (* C5 *)
2443 :     ( (5.8182), (~6.2769), (5.3570)), (* C6 *)
2444 :     (U (
2445 :     ( (8.7747), (~4.3728), (5.1568)), (* O2 *)
2446 :     ( (7.1154), (~6.7509), (8.6509)), (* O4 *)
2447 :     ( (8.7055), (~5.3037), (7.4491)), (* H3 *)
2448 :     ( (5.1416), (~7.3178), (6.9665)), (* H5 *)
2449 :     ( (5.0441), (~6.5310), (4.7784))) (* H6 *)
2450 :     )
2451 :     )
2452 :    
2453 :     val rU04
2454 :     = (
2455 :     ( (~0.5669), (~0.8012), (0.1918), (* dgf-base-tfo *)
2456 :     (~0.8129), (0.5817), (0.0273),
2457 :     (~0.1334), (~0.1404), (~0.9811),
2458 :     (~0.3279), (8.3874), (0.3355)),
2459 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
2460 :     (0.0649), (0.4366), (~0.8973),
2461 :     (0.5521), (~0.7648), (~0.3322),
2462 :     (1.6833), (6.8060), (~7.0011)),
2463 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
2464 :     (~0.4628), (~0.6450), (~0.6082),
2465 :     (0.8168), (~0.0436), (~0.5753),
2466 :     (~6.8179), (~3.9778), (~5.9887)),
2467 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
2468 :     (0.8103), (~0.5790), (0.0906),
2469 :     (~0.0255), (~0.1894), (~0.9816),
2470 :     (6.1203), (~7.1051), (3.1984)),
2471 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
2472 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
2473 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
2474 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
2475 :     ( (5.2416), (~8.2422), (2.8181)), (* C5' *)
2476 :     ( (5.2050), (~8.8128), (1.8901)), (* H5' *)
2477 :     ( (5.5368), (~8.7738), (3.7227)), (* H5'' *)
2478 :     ( (6.3232), (~7.2037), (2.6002)), (* C4' *)
2479 :     ( (7.3048), (~7.6757), (2.5577)), (* H4' *)
2480 :     ( (6.0635), (~6.5092), (1.3456)), (* O4' *)
2481 :     ( (6.4697), (~5.1547), (1.4629)), (* C1' *)
2482 :     ( (7.2354), (~5.0043), (0.7018)), (* H1' *)
2483 :     ( (7.0856), (~4.9610), (2.8521)), (* C2' *)
2484 :     ( (6.7777), (~3.9935), (3.2487)), (* H2'' *)
2485 :     ( (8.4627), (~5.1992), (2.7423)), (* O2' *)
2486 :     ( (8.8693), (~4.8638), (1.9399)), (* H2' *)
2487 :     ( (6.3877), (~6.0809), (3.6362)), (* C3' *)
2488 :     ( (5.3770), (~5.7562), (3.8834)), (* H3' *)
2489 :     ( (7.1024), (~6.4754), (4.7985)), (* O3' *)
2490 :     ( (5.2764), (~4.2883), (1.2538)), (* N1 *)
2491 :     ( (3.8961), (~3.0896), (~0.1893)), (* N3 *)
2492 :     ( (5.0095), (~3.8907), (~0.0346)), (* C2 *)
2493 :     ( (3.0480), (~2.6632), (0.8116)), (* C4 *)
2494 :     ( (3.4093), (~3.1310), (2.1292)), (* C5 *)
2495 :     ( (4.4878), (~3.9124), (2.3088)), (* C6 *)
2496 :     (U (
2497 :     ( (5.7005), (~4.2164), (~0.9842)), (* O2 *)
2498 :     ( (2.0800), (~1.9458), (0.5503)), (* O4 *)
2499 :     ( (3.6834), (~2.7882), (~1.1190)), (* H3 *)
2500 :     ( (2.8508), (~2.8721), (2.9172)), (* H5 *)
2501 :     ( (4.7188), (~4.2247), (3.2295))) (* H6 *)
2502 :     )
2503 :     )
2504 :    
2505 :     val rU05
2506 :     = (
2507 :     ( (~0.6298), (0.0246), (0.7763), (* dgf-base-tfo *)
2508 :     (~0.5226), (~0.7529), (~0.4001),
2509 :     (0.5746), (~0.6577), (0.4870),
2510 :     (~0.0208), (~3.4598), (~9.6882)),
2511 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
2512 :     (0.0649), (0.4366), (~0.8973),
2513 :     (0.5521), (~0.7648), (~0.3322),
2514 :     (1.6833), (6.8060), (~7.0011)),
2515 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
2516 :     (~0.4628), (~0.6450), (~0.6082),
2517 :     (0.8168), (~0.0436), (~0.5753),
2518 :     (~6.8179), (~3.9778), (~5.9887)),
2519 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
2520 :     (0.8103), (~0.5790), (0.0906),
2521 :     (~0.0255), (~0.1894), (~0.9816),
2522 :     (6.1203), (~7.1051), (3.1984)),
2523 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
2524 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
2525 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
2526 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
2527 :     ( (4.3825), (~6.6585), (4.0489)), (* C5' *)
2528 :     ( (4.6841), (~7.2019), (4.9443)), (* H5' *)
2529 :     ( (3.6189), (~5.8889), (4.1625)), (* H5'' *)
2530 :     ( (5.6255), (~5.9175), (3.5998)), (* C4' *)
2531 :     ( (5.8732), (~5.1228), (4.3034)), (* H4' *)
2532 :     ( (6.7337), (~6.8605), (3.5222)), (* O4' *)
2533 :     ( (7.5932), (~6.4923), (2.4548)), (* C1' *)
2534 :     ( (8.5661), (~6.2983), (2.9064)), (* H1' *)
2535 :     ( (7.0527), (~5.2012), (1.8322)), (* C2' *)
2536 :     ( (7.1627), (~5.2525), (0.7490)), (* H2'' *)
2537 :     ( (7.6666), (~4.1249), (2.4880)), (* O2' *)
2538 :     ( (8.5944), (~4.2543), (2.6981)), (* H2' *)
2539 :     ( (5.5661), (~5.3029), (2.2009)), (* C3' *)
2540 :     ( (5.0841), (~6.0018), (1.5172)), (* H3' *)
2541 :     ( (4.9062), (~4.0452), (2.2042)), (* O3' *)
2542 :     ( (7.6298), (~7.6136), (1.4752)), (* N1 *)
2543 :     ( (8.5977), (~9.5977), (0.7329)), (* N3 *)
2544 :     ( (8.5951), (~8.5745), (1.6594)), (* C2 *)
2545 :     ( (7.7372), (~9.7371), (~0.3364)), (* C4 *)
2546 :     ( (6.7596), (~8.6801), (~0.4476)), (* C5 *)
2547 :     ( (6.7338), (~7.6721), (0.4408)), (* C6 *)
2548 :     (U (
2549 :     ( (9.3993), (~8.5377), (2.5743)), (* O2 *)
2550 :     ( (7.8374), (~10.6990), (~1.1008)), (* O4 *)
2551 :     ( (9.2924), (~10.3081), (0.8477)), (* H3 *)
2552 :     ( (6.0932), (~8.6982), (~1.1929)), (* H5 *)
2553 :     ( (6.0481), (~6.9515), (0.3446))) (* H6 *)
2554 :     )
2555 :     )
2556 :    
2557 :     val rU06
2558 :     = (
2559 :     ( (~0.9837), (0.0476), (~0.1733), (* dgf-base-tfo *)
2560 :     (~0.1792), (~0.3353), (0.9249),
2561 :     (~0.0141), (0.9409), (0.3384),
2562 :     (5.7793), (~5.2303), (4.5997)),
2563 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
2564 :     (0.0649), (0.4366), (~0.8973),
2565 :     (0.5521), (~0.7648), (~0.3322),
2566 :     (1.6833), (6.8060), (~7.0011)),
2567 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
2568 :     (~0.4628), (~0.6450), (~0.6082),
2569 :     (0.8168), (~0.0436), (~0.5753),
2570 :     (~6.8179), (~3.9778), (~5.9887)),
2571 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
2572 :     (0.8103), (~0.5790), (0.0906),
2573 :     (~0.0255), (~0.1894), (~0.9816),
2574 :     (6.1203), (~7.1051), (3.1984)),
2575 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
2576 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
2577 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
2578 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
2579 :     ( (3.9938), (~6.7042), (1.9023)), (* C5' *)
2580 :     ( (3.2332), (~5.9343), (2.0319)), (* H5' *)
2581 :     ( (3.9666), (~7.2863), (0.9812)), (* H5'' *)
2582 :     ( (5.3098), (~5.9546), (1.8564)), (* C4' *)
2583 :     ( (5.3863), (~5.3702), (0.9395)), (* H4' *)
2584 :     ( (5.3851), (~5.0642), (3.0076)), (* O4' *)
2585 :     ( (6.7315), (~4.9724), (3.4462)), (* C1' *)
2586 :     ( (7.0033), (~3.9202), (3.3619)), (* H1' *)
2587 :     ( (7.5997), (~5.8018), (2.4948)), (* C2' *)
2588 :     ( (8.3627), (~6.3254), (3.0707)), (* H2'' *)
2589 :     ( (8.0410), (~4.9501), (1.4724)), (* O2' *)
2590 :     ( (8.2781), (~4.0644), (1.7570)), (* H2' *)
2591 :     ( (6.5701), (~6.8129), (1.9714)), (* C3' *)
2592 :     ( (6.4186), (~7.5809), (2.7299)), (* H3' *)
2593 :     ( (6.9357), (~7.3841), (0.7235)), (* O3' *)
2594 :     ( (6.8024), (~5.4718), (4.8475)), (* N1 *)
2595 :     ( (6.6920), (~5.0495), (7.1354)), (* N3 *)
2596 :     ( (6.6201), (~4.5500), (5.8506)), (* C2 *)
2597 :     ( (6.9254), (~6.3614), (7.4926)), (* C4 *)
2598 :     ( (7.1046), (~7.2543), (6.3718)), (* C5 *)
2599 :     ( (7.0391), (~6.7951), (5.1106)), (* C6 *)
2600 :     (U (
2601 :     ( (6.4083), (~3.3696), (5.6340)), (* O2 *)
2602 :     ( (6.9679), (~6.6901), (8.6800)), (* O4 *)
2603 :     ( (6.5626), (~4.3957), (7.8812)), (* H3 *)
2604 :     ( (7.2781), (~8.2254), (6.5350)), (* H5 *)
2605 :     ( (7.1657), (~7.4312), (4.3503))) (* H6 *)
2606 :     )
2607 :     )
2608 :    
2609 :     val rU07
2610 :     = (
2611 :     ( (~0.9434), (0.3172), (0.0971), (* dgf-base-tfo *)
2612 :     (0.2294), (0.4125), (0.8816),
2613 :     (0.2396), (0.8539), (~0.4619),
2614 :     (8.3625), (~52.7147), (1.3745)),
2615 :     ( (0.2765), (~0.1121), (~0.9545), (* P-O3'-275-tfo *)
2616 :     (~0.8297), (0.4733), (~0.2959),
2617 :     (0.4850), (0.8737), (0.0379),
2618 :     (~14.7774), (~45.2464), (21.9088)),
2619 :     ( (0.1063), (~0.6334), (~0.7665), (* P-O3'-180-tfo *)
2620 :     (~0.5932), (~0.6591), (0.4624),
2621 :     (~0.7980), (0.4055), (~0.4458),
2622 :     (43.7634), (4.3296), (28.4890)),
2623 :     ( (0.7136), (~0.5032), (~0.4873), (* P-O3'-60-tfo *)
2624 :     (0.6803), (0.3317), (0.6536),
2625 :     (~0.1673), (~0.7979), (0.5791),
2626 :     (~17.1858), (41.4390), (~27.0751)),
2627 :     ( (21.3880), (15.0780), (45.5770)), (* P *)
2628 :     ( (21.9980), (14.5500), (46.8210)), (* O1P *)
2629 :     ( (21.1450), (14.0270), (44.5420)), (* O2P *)
2630 :     ( (22.1250), (16.3600), (44.9460)), (* O5' *)
2631 :     ( (21.5037), (16.8594), (43.7323)), (* C5' *)
2632 :     ( (20.8147), (17.6663), (43.9823)), (* H5' *)
2633 :     ( (21.1086), (16.0230), (43.1557)), (* H5'' *)
2634 :     ( (22.5654), (17.4874), (42.8616)), (* C4' *)
2635 :     ( (22.1584), (17.7243), (41.8785)), (* H4' *)
2636 :     ( (23.0557), (18.6826), (43.4751)), (* O4' *)
2637 :     ( (24.4788), (18.6151), (43.6455)), (* C1' *)
2638 :     ( (24.9355), (19.0840), (42.7739)), (* H1' *)
2639 :     ( (24.7958), (17.1427), (43.6474)), (* C2' *)
2640 :     ( (24.5652), (16.7400), (44.6336)), (* H2'' *)
2641 :     ( (26.1041), (16.8773), (43.2455)), (* O2' *)
2642 :     ( (26.7516), (17.5328), (43.5149)), (* H2' *)
2643 :     ( (23.8109), (16.5979), (42.6377)), (* C3' *)
2644 :     ( (23.5756), (15.5686), (42.9084)), (* H3' *)
2645 :     ( (24.2890), (16.7447), (41.2729)), (* O3' *)
2646 :     ( (24.9420), (19.2174), (44.8923)), (* N1 *)
2647 :     ( (25.2655), (20.5636), (44.8883)), (* N3 *)
2648 :     ( (25.1663), (21.2219), (43.8561)), (* C2 *)
2649 :     ( (25.6911), (21.1219), (46.0494)), (* C4 *)
2650 :     ( (25.8051), (20.4068), (47.2048)), (* C5 *)
2651 :     ( (26.2093), (20.9962), (48.2534)), (* C6 *)
2652 :     (U (
2653 :     ( (25.4692), (19.0221), (47.2053)), (* O2 *)
2654 :     ( (25.0502), (18.4827), (46.0370)), (* O4 *)
2655 :     ( (25.9599), (22.1772), (46.0966)), (* H3 *)
2656 :     ( (25.5545), (18.4409), (48.1234)), (* H5 *)
2657 :     ( (24.7854), (17.4265), (45.9883))) (* H6 *)
2658 :     )
2659 :     )
2660 :    
2661 :     val rU08
2662 :     = (
2663 :     ( (~0.0080), (~0.7928), (0.6094), (* dgf-base-tfo *)
2664 :     (~0.7512), (0.4071), (0.5197),
2665 :     (~0.6601), (~0.4536), (~0.5988),
2666 :     (44.1482), (30.7036), (2.1088)),
2667 :     ( (0.2765), (~0.1121), (~0.9545), (* P-O3'-275-tfo *)
2668 :     (~0.8297), (0.4733), (~0.2959),
2669 :     (0.4850), (0.8737), (0.0379),
2670 :     (~14.7774), (~45.2464), (21.9088)),
2671 :     ( (0.1063), (~0.6334), (~0.7665), (* P-O3'-180-tfo *)
2672 :     (~0.5932), (~0.6591), (0.4624),
2673 :     (~0.7980), (0.4055), (~0.4458),
2674 :     (43.7634), (4.3296), (28.4890)),
2675 :     ( (0.7136), (~0.5032), (~0.4873), (* P-O3'-60-tfo *)
2676 :     (0.6803), (0.3317), (0.6536),
2677 :     (~0.1673), (~0.7979), (0.5791),
2678 :     (~17.1858), (41.4390), (~27.0751)),
2679 :     ( (21.3880), (15.0780), (45.5770)), (* P *)
2680 :     ( (21.9980), (14.5500), (46.8210)), (* O1P *)
2681 :     ( (21.1450), (14.0270), (44.5420)), (* O2P *)
2682 :     ( (22.1250), (16.3600), (44.9460)), (* O5' *)
2683 :     ( (23.5096), (16.1227), (44.5783)), (* C5' *)
2684 :     ( (23.5649), (15.8588), (43.5222)), (* H5' *)
2685 :     ( (23.9621), (15.4341), (45.2919)), (* H5'' *)
2686 :     ( (24.2805), (17.4138), (44.7151)), (* C4' *)
2687 :     ( (25.3492), (17.2309), (44.6030)), (* H4' *)
2688 :     ( (23.8497), (18.3471), (43.7208)), (* O4' *)
2689 :     ( (23.4090), (19.5681), (44.3321)), (* C1' *)
2690 :     ( (24.2595), (20.2496), (44.3524)), (* H1' *)
2691 :     ( (23.0418), (19.1813), (45.7407)), (* C2' *)
2692 :     ( (22.0532), (18.7224), (45.7273)), (* H2'' *)
2693 :     ( (23.1307), (20.2521), (46.6291)), (* O2' *)
2694 :     ( (22.8888), (21.1051), (46.2611)), (* H2' *)
2695 :     ( (24.0799), (18.1326), (46.0700)), (* C3' *)
2696 :     ( (23.6490), (17.4370), (46.7900)), (* H3' *)
2697 :     ( (25.3329), (18.7227), (46.5109)), (* O3' *)
2698 :     ( (22.2515), (20.1624), (43.6698)), (* N1 *)
2699 :     ( (22.4760), (21.0609), (42.6406)), (* N3 *)
2700 :     ( (23.6229), (21.3462), (42.3061)), (* C2 *)
2701 :     ( (21.3986), (21.6081), (42.0236)), (* C4 *)
2702 :     ( (20.1189), (21.3012), (42.3804)), (* C5 *)
2703 :     ( (19.1599), (21.8516), (41.7578)), (* C6 *)
2704 :     (U (
2705 :     ( (19.8919), (20.3745), (43.4387)), (* O2 *)
2706 :     ( (20.9790), (19.8423), (44.0440)), (* O4 *)
2707 :     ( (21.5235), (22.3222), (41.2097)), (* H3 *)
2708 :     ( (18.8732), (20.1200), (43.7312)), (* H5 *)
2709 :     ( (20.8545), (19.1313), (44.8608))) (* H6 *)
2710 :     )
2711 :     )
2712 :    
2713 :     val rU09
2714 :     = (
2715 :     ( (~0.0317), (0.1374), (0.9900), (* dgf-base-tfo *)
2716 :     (~0.3422), (~0.9321), (0.1184),
2717 :     (0.9391), (~0.3351), (0.0765),
2718 :     (~32.1929), (25.8198), (~28.5088)),
2719 :     ( (0.2765), (~0.1121), (~0.9545), (* P-O3'-275-tfo *)
2720 :     (~0.8297), (0.4733), (~0.2959),
2721 :     (0.4850), (0.8737), (0.0379),
2722 :     (~14.7774), (~45.2464), (21.9088)),
2723 :     ( (0.1063), (~0.6334), (~0.7665), (* P-O3'-180-tfo *)
2724 :     (~0.5932), (~0.6591), (0.4624),
2725 :     (~0.7980), (0.4055), (~0.4458),
2726 :     (43.7634), (4.3296), (28.4890)),
2727 :     ( (0.7136), (~0.5032), (~0.4873), (* P-O3'-60-tfo *)
2728 :     (0.6803), (0.3317), (0.6536),
2729 :     (~0.1673), (~0.7979), (0.5791),
2730 :     (~17.1858), (41.4390), (~27.0751)),
2731 :     ( (21.3880), (15.0780), (45.5770)), (* P *)
2732 :     ( (21.9980), (14.5500), (46.8210)), (* O1P *)
2733 :     ( (21.1450), (14.0270), (44.5420)), (* O2P *)
2734 :     ( (22.1250), (16.3600), (44.9460)), (* O5' *)
2735 :     ( (21.5037), (16.8594), (43.7323)), (* C5' *)
2736 :     ( (20.8147), (17.6663), (43.9823)), (* H5' *)
2737 :     ( (21.1086), (16.0230), (43.1557)), (* H5'' *)
2738 :     ( (22.5654), (17.4874), (42.8616)), (* C4' *)
2739 :     ( (23.0565), (18.3036), (43.3915)), (* H4' *)
2740 :     ( (23.5375), (16.5054), (42.4925)), (* O4' *)
2741 :     ( (23.6574), (16.4257), (41.0649)), (* C1' *)
2742 :     ( (24.4701), (17.0882), (40.7671)), (* H1' *)
2743 :     ( (22.3525), (16.9643), (40.5396)), (* C2' *)
2744 :     ( (21.5993), (16.1799), (40.6133)), (* H2'' *)
2745 :     ( (22.4693), (17.4849), (39.2515)), (* O2' *)
2746 :     ( (23.0899), (17.0235), (38.6827)), (* H2' *)
2747 :     ( (22.0341), (18.0633), (41.5279)), (* C3' *)
2748 :     ( (20.9509), (18.1709), (41.5846)), (* H3' *)
2749 :     ( (22.7249), (19.3020), (41.2100)), (* O3' *)
2750 :     ( (23.8580), (15.0648), (40.5757)), (* N1 *)
2751 :     ( (25.1556), (14.5982), (40.4523)), (* N3 *)
2752 :     ( (26.1047), (15.3210), (40.7448)), (* C2 *)
2753 :     ( (25.3391), (13.3315), (40.0020)), (* C4 *)
2754 :     ( (24.2974), (12.5148), (39.6749)), (* C5 *)
2755 :     ( (24.5450), (11.3410), (39.2610)), (* C6 *)
2756 :     (U (
2757 :     ( (22.9633), (12.9979), (39.8053)), (* O2 *)
2758 :     ( (22.8009), (14.2648), (40.2524)), (* O4 *)
2759 :     ( (26.3414), (12.9194), (39.8855)), (* H3 *)
2760 :     ( (22.1227), (12.3533), (39.5486)), (* H5 *)
2761 :     ( (21.7989), (14.6788), (40.3650))) (* H6 *)
2762 :     )
2763 :     )
2764 :    
2765 :     val rU10
2766 :     = (
2767 :     ( (~0.9674), (0.1021), (~0.2318), (* dgf-base-tfo *)
2768 :     (~0.2514), (~0.2766), (0.9275),
2769 :     (0.0306), (0.9555), (0.2933),
2770 :     (27.8571), (~42.1305), (~24.4563)),
2771 :     ( (0.2765), (~0.1121), (~0.9545), (* P-O3'-275-tfo *)
2772 :     (~0.8297), (0.4733), (~0.2959),
2773 :     (0.4850), (0.8737), (0.0379),
2774 :     (~14.7774), (~45.2464), (21.9088)),
2775 :     ( (0.1063), (~0.6334), (~0.7665), (* P-O3'-180-tfo *)
2776 :     (~0.5932), (~0.6591), (0.4624),
2777 :     (~0.7980), (0.4055), (~0.4458),
2778 :     (43.7634), (4.3296), (28.4890)),
2779 :     ( (0.7136), (~0.5032), (~0.4873), (* P-O3'-60-tfo *)
2780 :     (0.6803), (0.3317), (0.6536),
2781 :     (~0.1673), (~0.7979), (0.5791),
2782 :     (~17.1858), (41.4390), (~27.0751)),
2783 :     ( (21.3880), (15.0780), (45.5770)), (* P *)
2784 :     ( (21.9980), (14.5500), (46.8210)), (* O1P *)
2785 :     ( (21.1450), (14.0270), (44.5420)), (* O2P *)
2786 :     ( (22.1250), (16.3600), (44.9460)), (* O5' *)
2787 :     ( (23.5096), (16.1227), (44.5783)), (* C5' *)
2788 :     ( (23.5649), (15.8588), (43.5222)), (* H5' *)
2789 :     ( (23.9621), (15.4341), (45.2919)), (* H5'' *)
2790 :     ( (24.2805), (17.4138), (44.7151)), (* C4' *)
2791 :     ( (23.8509), (18.1819), (44.0720)), (* H4' *)
2792 :     ( (24.2506), (17.8583), (46.0741)), (* O4' *)
2793 :     ( (25.5830), (18.0320), (46.5775)), (* C1' *)
2794 :     ( (25.8569), (19.0761), (46.4256)), (* H1' *)
2795 :     ( (26.4410), (17.1555), (45.7033)), (* C2' *)
2796 :     ( (26.3459), (16.1253), (46.0462)), (* H2'' *)
2797 :     ( (27.7649), (17.5888), (45.6478)), (* O2' *)
2798 :     ( (28.1004), (17.9719), (46.4616)), (* H2' *)
2799 :     ( (25.7796), (17.2997), (44.3513)), (* C3' *)
2800 :     ( (25.9478), (16.3824), (43.7871)), (* H3' *)
2801 :     ( (26.2154), (18.4984), (43.6541)), (* O3' *)
2802 :     ( (25.7321), (17.6281), (47.9726)), (* N1 *)
2803 :     ( (25.5136), (18.5779), (48.9560)), (* N3 *)
2804 :     ( (25.2079), (19.7276), (48.6503)), (* C2 *)
2805 :     ( (25.6482), (18.1987), (50.2518)), (* C4 *)
2806 :     ( (25.9847), (16.9266), (50.6092)), (* C5 *)
2807 :     ( (26.0918), (16.6439), (51.8416)), (* C6 *)
2808 :     (U (
2809 :     ( (26.2067), (15.9515), (49.5943)), (* O2 *)
2810 :     ( (26.0713), (16.3497), (48.3080)), (* O4 *)
2811 :     ( (25.4890), (18.9105), (51.0618)), (* H3 *)
2812 :     ( (26.4742), (14.9310), (49.8682)), (* H5 *)
2813 :     ( (26.2346), (15.6394), (47.4975))) (* H6 *)
2814 :     )
2815 :     )
2816 :    
2817 :     val rUs = [rU01,rU02,rU03,rU04,rU05,rU06,rU07,rU08,rU09,rU10]
2818 :    
2819 :     val rG'
2820 :     = (
2821 :     ( (~0.2067), (~0.0264), (0.9780), (* dgf-base-tfo *)
2822 :     (0.9770), (~0.0586), (0.2049),
2823 :     (0.0519), (0.9979), (0.0379),
2824 :     (1.0331), (~46.8078), (~36.4742)),
2825 :     ( (~0.8644), (~0.4956), (~0.0851), (* P-O3'-275-tfo *)
2826 :     (~0.0427), (0.2409), (~0.9696),
2827 :     (0.5010), (~0.8345), (~0.2294),
2828 :     (4.0167), (54.5377), (12.4779)),
2829 :     ( (0.3706), (~0.6167), (0.6945), (* P-O3'-180-tfo *)
2830 :     (~0.2867), (~0.7872), (~0.5460),
2831 :     (0.8834), (0.0032), (~0.4686),
2832 :     (~52.9020), (18.6313), (~0.6709)),
2833 :     ( (0.4155), (0.9025), (~0.1137), (* P-O3'-60-tfo *)
2834 :     (0.9040), (~0.4236), (~0.0582),
2835 :     (~0.1007), (~0.0786), (~0.9918),
2836 :     (~7.6624), (~25.2080), (49.5181)),
2837 :     ( (31.3810), (0.1400), (47.5810)), (* P *)
2838 :     ( (29.9860), (0.6630), (47.6290)), (* O1P *)
2839 :     ( (31.7210), (~0.6460), (48.8090)), (* O2P *)
2840 :     ( (32.4940), (1.2540), (47.2740)), (* O5' *)
2841 :     ( (32.1610), (2.2370), (46.2560)), (* C5' *)
2842 :     ( (31.2986), (2.8190), (46.5812)), (* H5' *)
2843 :     ( (32.0980), (1.7468), (45.2845)), (* H5'' *)
2844 :     ( (33.3476), (3.1959), (46.1947)), (* C4' *)
2845 :     ( (33.2668), (3.8958), (45.3630)), (* H4' *)
2846 :     ( (33.3799), (3.9183), (47.4216)), (* O4' *)
2847 :     ( (34.6515), (3.7222), (48.0398)), (* C1' *)
2848 :     ( (35.2947), (4.5412), (47.7180)), (* H1' *)
2849 :     ( (35.1756), (2.4228), (47.4827)), (* C2' *)
2850 :     ( (34.6778), (1.5937), (47.9856)), (* H2'' *)
2851 :     ( (36.5631), (2.2672), (47.4798)), (* O2' *)
2852 :     ( (37.0163), (2.6579), (48.2305)), (* H2' *)
2853 :     ( (34.6953), (2.5043), (46.0448)), (* C3' *)
2854 :     ( (34.5444), (1.4917), (45.6706)), (* H3' *)
2855 :     ( (35.6679), (3.3009), (45.3487)), (* O3' *)
2856 :     ( (37.4804), (4.0914), (52.2559)), (* N1 *)
2857 :     ( (36.9670), (4.1312), (49.9281)), (* N3 *)
2858 :     ( (37.8045), (4.2519), (50.9550)), (* C2 *)
2859 :     ( (35.7171), (3.8264), (50.3222)), (* C4 *)
2860 :     ( (35.2668), (3.6420), (51.6115)), (* C5 *)
2861 :     ( (36.2037), (3.7829), (52.6706)), (* C6 *)
2862 :     (G (
2863 :     ( (39.0869), (4.5552), (50.7092)), (* N2 *)
2864 :     ( (33.9075), (3.3338), (51.6102)), (* N7 *)
2865 :     ( (34.6126), (3.6358), (49.5108)), (* N9 *)
2866 :     ( (33.5805), (3.3442), (50.3425)), (* C8 *)
2867 :     ( (35.9958), (3.6512), (53.8724)), (* O6 *)
2868 :     ( (38.2106), (4.2053), (52.9295)), (* H1 *)
2869 :     ( (39.8218), (4.6863), (51.3896)), (* H21 *)
2870 :     ( (39.3420), (4.6857), (49.7407)), (* H22 *)
2871 :     ( (32.5194), (3.1070), (50.2664))) (* H8 *)
2872 :     )
2873 :     )
2874 :    
2875 :     val rU'
2876 :     = (
2877 :     ( (~0.0109), (0.5907), (0.8068), (* dgf-base-tfo *)
2878 :     (0.2217), (~0.7853), (0.5780),
2879 :     (0.9751), (0.1852), (~0.1224),
2880 :     (~1.4225), (~11.0956), (~2.5217)),
2881 :     ( (~0.8313), (~0.4738), (~0.2906), (* P-O3'-275-tfo *)
2882 :     (0.0649), (0.4366), (~0.8973),
2883 :     (0.5521), (~0.7648), (~0.3322),
2884 :     (1.6833), (6.8060), (~7.0011)),
2885 :     ( (0.3445), (~0.7630), (0.5470), (* P-O3'-180-tfo *)
2886 :     (~0.4628), (~0.6450), (~0.6082),
2887 :     (0.8168), (~0.0436), (~0.5753),
2888 :     (~6.8179), (~3.9778), (~5.9887)),
2889 :     ( (0.5855), (0.7931), (~0.1682), (* P-O3'-60-tfo *)
2890 :     (0.8103), (~0.5790), (0.0906),
2891 :     (~0.0255), (~0.1894), (~0.9816),
2892 :     (6.1203), (~7.1051), (3.1984)),
2893 :     ( (2.6760), (~8.4960), (3.2880)), (* P *)
2894 :     ( (1.4950), (~7.6230), (3.4770)), (* O1P *)
2895 :     ( (2.9490), (~9.4640), (4.3740)), (* O2P *)
2896 :     ( (3.9730), (~7.5950), (3.0340)), (* O5' *)
2897 :     ( (5.2430), (~8.2420), (2.8260)), (* C5' *)
2898 :     ( (5.1974), (~8.8497), (1.9223)), (* H5' *)
2899 :     ( (5.5548), (~8.7348), (3.7469)), (* H5'' *)
2900 :     ( (6.3140), (~7.2060), (2.5510)), (* C4' *)
2901 :     ( (5.8744), (~6.2116), (2.4731)), (* H4' *)
2902 :     ( (7.2798), (~7.2260), (3.6420)), (* O4' *)
2903 :     ( (8.5733), (~6.9410), (3.1329)), (* C1' *)
2904 :     ( (8.9047), (~6.0374), (3.6446)), (* H1' *)
2905 :     ( (8.4429), (~6.6596), (1.6327)), (* C2' *)
2906 :     ( (9.2880), (~7.1071), (1.1096)), (* H2'' *)
2907 :     ( (8.2502), (~5.2799), (1.4754)), (* O2' *)
2908 :     ( (8.7676), (~4.7284), (2.0667)), (* H2' *)
2909 :     ( (7.1642), (~7.4416), (1.3021)), (* C3' *)
2910 :     ( (7.4125), (~8.5002), (1.2260)), (* H3' *)
2911 :     ( (6.5160), (~6.9772), (0.1267)), (* O3' *)
2912 :     ( (9.4531), (~8.1107), (3.4087)), (* N1 *)
2913 :     ( (11.5931), (~9.0015), (3.6357)), (* N3 *)
2914 :     ( (10.8101), (~7.8950), (3.3748)), (* C2 *)
2915 :     ( (11.1439), (~10.2744), (3.9206)), (* C4 *)
2916 :     ( (9.7056), (~10.4026), (3.9332)), (* C5 *)
2917 :     ( (8.9192), (~9.3419), (3.6833)), (* C6 *)
2918 :     (U (
2919 :     ( (11.3013), (~6.8063), (3.1326)), (* O2 *)
2920 :     ( (11.9431), (~11.1876), (4.1375)), (* O4 *)
2921 :     ( (12.5840), (~8.8673), (3.6158)), (* H3 *)
2922 :     ( (9.2891), (~11.2898), (4.1313)), (* H5 *)
2923 :     ( (7.9263), (~9.4537), (3.6977))) (* H6 *)
2924 :     )
2925 :     )
2926 :    
2927 :     (* -- PARTIAL INSTANTIATIONS ------------------------------------------------*)
2928 :    
2929 :     type var = intg*tfo*nuc
2930 :    
2931 :     fun atom_pos atom (i,t,n) = tfo_apply t (atom n)
2932 :    
2933 :     fun get_var id ((i,t,n)::rest)
2934 :     = if id = i then (i,t,n) else get_var id rest
2935 :    
2936 :     (* -- SEARCH ----------------------------------------------------------------*)
2937 :    
2938 :     (* Queue operations (to efficiently append two lists of solutions) *)
2939 :    
2940 :     fun queue_to_list q = q
2941 :    
2942 :     val make_empty_queue = []
2943 :    
2944 :     fun make_singleton_queue item = [item]
2945 :    
2946 :     fun append_queues q1 q2 = q1 @ q2
2947 :    
2948 :     (* Sequential backtracking algorithm *)
2949 :    
2950 :     fun
2951 :     search partial_inst [] constraint
2952 :     = make_singleton_queue partial_inst
2953 :     |
2954 :     search partial_inst (h::t) constraint
2955 :     = search_aux partial_inst t constraint (h partial_inst)
2956 :    
2957 :     and
2958 :    
2959 :     search_aux partial_inst domains constraint []
2960 :     = make_empty_queue
2961 :     |
2962 :     search_aux partial_inst domains constraint (h::t)
2963 :     = if constraint h partial_inst then
2964 :     append_queues
2965 :     (search (h::partial_inst) domains constraint)
2966 :     (search_aux partial_inst domains constraint t)
2967 :     else
2968 :     search_aux partial_inst domains constraint t
2969 :    
2970 :     (* -- DOMAINS ---------------------------------------------------------------*)
2971 :    
2972 :     (* Primary structure: strand A CUGCCACGUCUG, strand B CAGACGUGGCAG
2973 :     ||
2974 :     || Secondary structure: strand A CUGCCACGUCUG
2975 :     || ||||||||||||
2976 :     || GACGGUGCAGAC strand B
2977 :     ||
2978 :     || Tertiary structure:
2979 :     ||
2980 :     || 5' end of strand A C1----G12 3' end of strand B
2981 :     || U2-------A11
2982 :     || G3-------C10
2983 :     || C4-----G9
2984 :     || C5---G8
2985 :     || A6
2986 :     || G6-C7
2987 :     || C5----G8
2988 :     || A4-------U9
2989 :     || G3--------C10
2990 :     || A2-------U11
2991 :     || 5' end of strand B C1----G12 3' end of strand A
2992 :     ||
2993 :     || "helix", "stacked" and "connected" describe the spatial relationship
2994 :     || between two consecutive nucleotides. E.g. the nucleotides C1 and U2
2995 :     || from the strand A.
2996 :     ||
2997 :     || "wc" (stands for Watson-Crick and is a type of base-pairing),
2998 :     || and "wc-dumas" describe the spatial relationship between
2999 :     || nucleotides from two chains that are growing in opposite directions.
3000 :     || E.g. the nucleotides C1 from strand A and G12 from strand B.
3001 :     *)
3002 :    
3003 :     (* Dynamic Domains *)
3004 :    
3005 :     (* Given,
3006 :     || "ref" a nucleotide which is already positioned,
3007 :     || "nuc" the nucleotide to be placed,
3008 :     || and "tfo" a transformation matrix which expresses the desired
3009 :     || relationship between "ref" and "nuc",
3010 :     || the function "dgf-base" computes the transformation matrix that
3011 :     || places the nucleotide "nuc" in the given relationship to "ref".
3012 :     *)
3013 :    
3014 :     fun
3015 :     dgf_base tfo (i,t,n) nuc
3016 :     = let
3017 :     val x = if is_A n then
3018 :     tfo_align (tfo_apply t (nuc_C1' n))
3019 :     (tfo_apply t (rA_N9 n))
3020 :     (tfo_apply t (nuc_C4 n))
3021 :     else if is_C n then
3022 :     tfo_align (tfo_apply t (nuc_C1' n))
3023 :     (tfo_apply t (nuc_N1 n))
3024 :     (tfo_apply t (nuc_C2 n))
3025 :     else if is_G n then
3026 :     tfo_align (tfo_apply t (nuc_C1' n))
3027 :     (tfo_apply t (rG_N9 n))
3028 :     (tfo_apply t (nuc_C4 n))
3029 :     else
3030 :     tfo_align (tfo_apply t (nuc_C1' n))
3031 :     (tfo_apply t (nuc_N1 n))
3032 :     (tfo_apply t (nuc_C2 n))
3033 :     in
3034 :     tfo_combine (nuc_dgf_base_tfo nuc)
3035 :     (tfo_combine tfo (tfo_inv_ortho x))
3036 :     end
3037 :    
3038 :     (* Placement of first nucleotide. *)
3039 :    
3040 :     fun
3041 :     reference nuc i partial_inst = [ (i,tfo_id,nuc) ]
3042 :    
3043 :     (* The transformation matrix for wc is from:
3044 :     ||
3045 :     || Chandrasekaran R. et al (1989) A Re-Examination of the Crystal
3046 :     || Structure of A-DNA Using Fiber Diffraction Data. J. Biomol.
3047 :     || Struct. & Dynamics 6(6):1189-1202.
3048 :     *)
3049 :    
3050 :     val wc_tfo
3051 :     = (
3052 :     (~1.0000), (0.0028), (~0.0019),
3053 :     (0.0028), (0.3468), (~0.9379),
3054 :     (~0.0019), (~0.9379), (~0.3468),
3055 :     (~0.0080), (6.0730), (8.7208)
3056 :     )
3057 :    
3058 :     fun
3059 :     wc nuc i j partial_inst
3060 :     = [ (i,(dgf_base wc_tfo (get_var j partial_inst) nuc),nuc) ]
3061 :    
3062 :     val wc_Dumas_tfo
3063 :     = (
3064 :     (~0.9737), (~0.1834), (0.1352),
3065 :     (~0.1779), (0.2417), (~0.9539),
3066 :     (0.1422), (~0.9529), (~0.2679),
3067 :     (0.4837), (6.2649), (8.0285)
3068 :     )
3069 :    
3070 :     fun
3071 :     wc_Dumas nuc i j partial_inst
3072 :     = [ (i,(dgf_base wc_Dumas_tfo (get_var j partial_inst) nuc),nuc) ]
3073 :    
3074 :     val helix5'_tfo
3075 :     = (
3076 :     (0.9886), (~0.0961), (0.1156),
3077 :     (0.1424), (0.8452), (~0.5152),
3078 :     (~0.0482), (0.5258), (0.8492),
3079 :     (~3.8737), (0.5480), (3.8024)
3080 :     )
3081 :    
3082 :     fun
3083 :     helix5' nuc i j partial_inst
3084 :     = [ (i,(dgf_base helix5'_tfo (get_var j partial_inst) nuc),nuc) ]
3085 :    
3086 :     val helix3'_tfo
3087 :     = (
3088 :     (0.9886), (0.1424), (~0.0482),
3089 :     (~0.0961), (0.8452), (0.5258),
3090 :     (0.1156), (~0.5152), (0.8492),
3091 :     (3.4426), (2.0474), (~3.7042)
3092 :     )
3093 :    
3094 :     fun
3095 :     helix3' nuc i j partial_inst
3096 :     = [ (i,(dgf_base helix3'_tfo (get_var j partial_inst) nuc),nuc) ]
3097 :    
3098 :     val g37_a38_tfo
3099 :     = (
3100 :     (0.9991), (0.0164), (~0.0387),
3101 :     (~0.0375), (0.7616), (~0.6470),
3102 :     (0.0189), (0.6478), (0.7615),
3103 :     (~3.3018), (0.9975), (2.5585)
3104 :     )
3105 :    
3106 :     fun
3107 :     g37_a38 nuc i j partial_inst
3108 :     = (i,(dgf_base g37_a38_tfo (get_var j partial_inst) nuc),nuc)
3109 :    
3110 :     fun
3111 :     stacked5' nuc i j partial_inst
3112 :     = (g37_a38 nuc i j partial_inst) :: (helix5' nuc i j partial_inst)
3113 :    
3114 :     val a38_g37_tfo
3115 :     = (
3116 :     (0.9991), (~0.0375), (0.0189),
3117 :     (0.0164), (0.7616), (0.6478),
3118 :     (~0.0387), (~0.6470), (0.7615),
3119 :     (3.3819), (0.7718), (~2.5321)
3120 :     )
3121 :    
3122 :     fun
3123 :     a38_g37 nuc i j partial_inst
3124 :     = (i,(dgf_base a38_g37_tfo (get_var j partial_inst) nuc),nuc)
3125 :    
3126 :     fun
3127 :     stacked3' nuc i j partial_inst
3128 :     = (a38_g37 nuc i j partial_inst) :: (helix3' nuc i j partial_inst)
3129 :    
3130 :     fun
3131 :     p_o3' nucs i j partial_inst
3132 :     = let
3133 :     val (k,t,n) = get_var j partial_inst
3134 :     val align = tfo_inv_ortho
3135 :     (tfo_align (tfo_apply t (nuc_O3' n))
3136 :     (tfo_apply t (nuc_C3' n))
3137 :     (tfo_apply t (nuc_C4' n)))
3138 :     in
3139 :     List.concat
3140 :     (map (fn nuc =>
3141 :     [ (i,(tfo_combine (nuc_p_o3'_60_tfo nuc) align),nuc),
3142 :     (i,(tfo_combine (nuc_p_o3'_180_tfo nuc) align),nuc),
3143 :     (i,(tfo_combine (nuc_p_o3'_275_tfo nuc) align),nuc) ])
3144 :     nucs)
3145 :     end
3146 :    
3147 :     (* -- PROBLEM STATEMENT -----------------------------------------------------*)
3148 :    
3149 :     (* Define anticodon problem -- Science 253:1255 Figure 3a, 3b and 3c *)
3150 :    
3151 :     fun anticodon_domains ()
3152 :     = [
3153 :     reference rC 27,
3154 :     helix5' rC 28 27,
3155 :     helix5' rA 29 28,
3156 :     helix5' rG 30 29,
3157 :     helix5' rA 31 30,
3158 :     wc rU 39 31,
3159 :     helix5' rC 40 39,
3160 :     helix5' rU 41 40,
3161 :     helix5' rG 42 41,
3162 :     helix5' rG 43 42,
3163 :     stacked3' rA 38 39,
3164 :     stacked3' rG 37 38,
3165 :     stacked3' rA 36 37,
3166 :     stacked3' rA 35 36,
3167 :     stacked3' rG 34 35, (*<-. Distan, *)
3168 :     p_o3' rCs 32 31, (* | Constraint *)
3169 :     p_o3' rUs 33 32 (*<-' 3.0 Angstrom *)
3170 :     ]
3171 :    
3172 :     (* Anticodon constraint *)
3173 :    
3174 :     fun anticodon_constraint (i,t,n) partial_inst
3175 :     = if i = 33 then
3176 :     let
3177 :     val p = atom_pos nuc_P (get_var 34 partial_inst)
3178 :     val o3' = atom_pos nuc_O3' (i,t,n)
3179 :     in
3180 :     (pt_dist p o3') <= 3.0
3181 :     end
3182 :     else
3183 :     true
3184 :    
3185 :     (* Anticodon*)
3186 :    
3187 :     fun anticodon () =
3188 :     queue_to_list (search [] (anticodon_domains ()) anticodon_constraint)
3189 :    
3190 :     fun anticodon_length () = length(anticodon())
3191 :    
3192 :     end;
3193 :    

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