ATOM 23
1 C1y C 28.0761 -18.9805
2 C1y C 28.8095 -17.9983
3 C1x C 29.0589 -19.7650
4 C1y C 29.9494 -18.7276
5 C1y C 30.7592 -17.8707
6 C1x C 31.7415 -18.7439
7 C1b C 31.1595 -16.5193
8 C8y C 24.9957 -18.2638
9 N4x N 26.1482 -19.8799
10 C8y C 24.9971 -19.4839
11 C8x C 23.9336 -17.6545
12 C8x C 23.9336 -20.1073
13 C8x C 22.8873 -18.2638
14 C8y C 22.8873 -19.4839
15 C8y C 26.8602 -18.8991
16 C8y C 26.1694 -17.9071
17 C1x C 26.5083 -16.7299
18 C1x C 27.6348 -16.2688
19 N1y N 28.6964 -16.8560
20 C1x C 29.5732 -15.2113
21 C1a C 32.5339 -16.1968
22 O2a O 21.8349 -20.0829
23 C1a C 20.7898 -19.4687
BOND 27
1 1 2 1
2 1 3 1
3 2 5 1
4 16 8 1
5 15 9 1
6 8 10 2
7 8 11 1
8 10 12 1
9 11 13 2
10 12 14 2
11 9 10 1
12 13 14 1
13 15 16 2
14 16 17 1
15 15 1 1
16 17 18 1
17 18 19 1
18 2 19 1
19 19 20 1 #Up
20 4 20 1 #Up
21 4 6 1
22 7 21 1
23 5 7 1 #Up
24 3 4 1
25 14 22 1
26 5 6 1
27 22 23 1
|