ATOM 22
1 C8y C 17.1244 -16.4935
2 C8x C 17.1244 -17.8970
3 N5x N 18.3400 -18.5988
4 C8y C 19.5556 -17.8970
5 C8y C 19.5556 -16.4935
6 C8x C 18.3400 -15.7917
7 N5x N 20.8905 -18.3308
8 C8y C 21.7155 -17.1953
9 N4y N 20.8905 -16.0597
10 C8y C 15.9089 -15.7917
11 C8x C 15.9089 -14.3883
12 C8x C 14.6933 -13.6865
13 C8x C 13.4778 -14.3883
14 C8x C 13.4778 -15.7917
15 C8x C 14.6933 -16.4935
16 N1b N 23.0898 -17.1953
17 C1a C 21.3227 -14.7295
18 O2a O 23.7726 -18.3788
19 S4a S 23.7726 -19.7788
20 O1d O 22.3726 -19.7788
21 O1d O 25.1726 -19.7788
22 O1d O 23.7726 -21.1788
BOND 24
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 2
9 8 9 1
10 5 9 1
11 1 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 8 16 1
19 9 17 1
20 16 18 1
21 18 19 1
22 19 20 2
23 19 21 2
24 19 22 1
|