ATOM 42
1 C8y C 13.8915 -15.0804
2 C8y C 13.8915 -16.4831
3 C8x C 15.0839 -17.1144
4 C8y C 16.2762 -16.4831
5 C8y C 16.2762 -15.0804
6 C8x C 15.0839 -14.3790
7 N4x N 17.6088 -16.9039
8 C8y C 18.4504 -15.7818
9 C8y C 17.6088 -14.6596
10 C1z C 19.7129 -15.3610
11 C1y C 19.7129 -13.9582
12 C1x C 18.4504 -13.5374
13 C1z C 20.9753 -15.9922
14 C1z C 22.2377 -15.3610
15 C1x C 22.2377 -13.9582
16 C1x C 20.9753 -13.2569
17 C1x C 20.9753 -17.3949
18 C1x C 22.2377 -18.0963
19 C1y C 23.4300 -17.3949
20 C2y C 23.4300 -15.9922
21 O2x O 24.6223 -18.0963
22 C1y C 25.8147 -17.3949
23 C1y C 25.8147 -15.9922
24 C2x C 24.6223 -15.3610
25 C1a C 19.7130 -16.7636
26 O1a O 23.4300 -14.6596
27 C2c C 27.0771 -18.0963
28 C1a C 20.4142 -14.5194
29 C1x C 12.5590 -14.6596
30 C1y C 11.7173 -15.7818
31 C2y C 12.5590 -16.9039
32 C1z C 10.3146 -15.9220
33 O2x O 9.7536 -17.2547
34 C1z C 10.5952 -18.3768
35 C2x C 11.9979 -18.2365
36 C1a C 8.9820 -15.5714
37 C1a C 9.9640 -14.5895
38 C1a C 10.5952 -19.7795
39 C1a C 9.5432 -19.3587
40 O1a O 27.0069 -15.2908
41 C2a C 27.0771 -19.4989
42 C1a C 28.2694 -17.3949
BOND 49
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 9 12 1
15 10 13 1
16 13 14 1
17 14 15 1
18 15 16 1
19 11 16 1
20 13 17 1
21 17 18 1
22 18 19 1
23 19 20 1
24 14 20 1
25 19 21 1
26 21 22 1
27 22 23 1
28 23 24 1
29 20 24 2
30 10 25 1 #Down
31 14 26 1 #Down
32 22 27 1 #Up
33 13 28 1 #Up
34 1 29 1
35 29 30 1
36 30 31 1
37 2 31 1
38 30 32 1
39 32 33 1
40 33 34 1
41 34 35 1
42 31 35 2
43 32 36 1
44 32 37 1
45 34 38 1
46 34 39 1
47 23 40 1 #Up
48 27 41 2
49 27 42 1
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