ATOM 20
1 C8x C 8.9600 -17.3600
2 C8x C 8.9600 -18.7600
3 C8x C 10.1724 -19.4600
4 C8x C 11.3849 -18.7600
5 C8y C 11.3849 -17.3600
6 C8x C 10.1724 -16.6600
7 C1d C 12.6224 -16.6600
8 N1b N 13.8349 -17.3600
9 C5a C 15.0473 -16.6600
10 N1c N 16.2597 -17.3600
11 C8y C 17.4722 -16.6600
12 C1a C 13.3224 -15.4476
13 C1a C 11.9224 -15.4476
14 O5a O 15.0473 -15.2600
15 C1a C 16.2597 -18.7599
16 C8x C 18.7053 -17.3722
17 C8x C 19.9179 -16.6724
18 C8x C 19.9181 -15.2724
19 C8x C 18.6850 -14.5602
20 C8x C 17.4724 -15.2600
BOND 21
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 7 12 1
13 7 13 1
14 9 14 2
15 10 15 1
16 11 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 11 20 1
|