ATOM 25
1 C8y C 28.6490 -16.6832
2 C1y C 29.8576 -17.2856
3 C8y C 27.3974 -17.3090
4 C8y C 28.6017 -15.2220
5 C1x C 30.2427 -18.6413
6 N1y N 31.0556 -16.7058
7 O2x O 27.1003 -18.6762
8 C8y C 26.2349 -16.6077
9 C1x C 29.8513 -14.5444
10 C8x C 27.5022 -14.5222
11 C8y C 29.3902 -19.7393
12 C1x C 31.0786 -15.2444
13 C8y C 27.9823 -19.7568
14 C8x C 26.2520 -15.1406
15 C8x C 30.1096 -20.9544
16 C8x C 27.2933 -20.9778
17 C8y C 29.4136 -22.1814
18 C8y C 27.9998 -22.1989
19 O2a O 27.3164 -23.4085
20 O2a O 30.1266 -23.3780
21 C1a C 28.0179 -24.6078
22 C1a C 29.4408 -24.5904
23 O2a O 25.0207 -17.2902
24 C1a C 23.8261 -16.5737
25 C1a C 32.2273 -17.4596
BOND 28
1 3 8 2
2 4 9 1
3 4 10 1
4 5 11 1
5 6 12 1
6 7 13 1
7 8 14 1
8 11 15 1
9 13 16 1
10 15 17 2
11 16 18 2
12 9 12 1
13 10 14 2
14 11 13 2
15 17 18 1
16 18 19 1
17 1 2 1
18 17 20 1
19 1 3 1
20 19 21 1
21 1 4 2
22 20 22 1
23 2 5 1
24 8 23 1
25 2 6 1
26 23 24 1
27 3 7 1
28 6 25 1
|