ATOM 43
1 C8x C 2.6302 -15.0155
2 C8x C 1.8109 -16.1582
3 S2x S 2.6444 -17.2906
4 C8y C 3.9790 -16.8478
5 C8y C 3.9703 -15.4417
6 C5x C 5.2010 -17.5433
7 C2y C 6.4144 -16.8327
8 C2y C 6.4056 -15.4267
9 C5x C 5.1835 -14.7312
10 O5x O 5.1747 -13.3485
11 O5x O 5.2093 -18.9728
12 S2a S 7.6231 -14.7135
13 C1a C 8.8343 -15.4024
14 C1b C 7.6618 -17.5422
15 C1b C 8.8886 -16.8226
16 C1c C 10.1002 -17.5109
17 C1b C 11.3085 -16.8018
18 C1a C 10.1097 -18.9025
19 C1b C 12.5068 -17.4827
20 C1b C 13.6909 -16.7880
21 C1c C 14.9011 -17.4757
22 C1b C 16.0794 -16.7846
23 C1a C 14.9115 -18.9020
24 C1b C 17.2924 -17.4741
25 C1b C 18.5210 -16.7530
26 C1c C 19.7320 -17.4405
27 C1b C 20.9402 -16.7311
28 C1a C 19.7421 -18.8322
29 C1b C 22.1390 -17.4118
30 C1b C 23.3224 -16.7170
31 C1c C 24.5334 -17.4047
32 C1b C 25.7108 -16.7136
33 C1a C 24.5441 -18.8317
34 C1b C 26.9247 -17.4031
35 C1b C 28.1523 -16.6820
36 C1c C 29.3643 -17.3695
37 C1b C 30.5716 -16.6601
38 C1a C 29.3747 -18.7619
39 C1b C 31.7712 -17.3408
40 C1b C 32.9537 -16.6460
41 C1c C 34.1656 -17.3336
42 C1a C 35.3937 -16.6116
43 C1a C 34.1761 -18.7619
BOND 44
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 1 5 1
6 4 6 1
7 6 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 9 10 2
12 6 11 2
13 8 12 1
14 12 13 1
15 7 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 16 18 1
20 17 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 21 23 1
25 22 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 26 28 1
30 27 29 1
31 29 30 1
32 30 31 1
33 31 32 1
34 31 33 1
35 32 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 36 38 1
40 37 39 1
41 39 40 1
42 40 41 1
43 41 42 1
44 41 43 1
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