ATOM 15
1 C8x C 18.2700 -15.4700
2 C8x C 18.2700 -14.0700
3 C8y C 17.0800 -13.3700
4 C8y C 15.8200 -14.0700
5 C8y C 15.8200 -15.4700
6 C8x C 17.0800 -16.1700
7 N5x N 14.6300 -13.3700
8 C8y C 13.4400 -14.0700
9 C8y C 13.4400 -15.4700
10 N5x N 14.6300 -16.1700
11 C8x C 12.1800 -13.3700
12 C8x C 10.9900 -14.0700
13 C8x C 10.9900 -15.4700
14 C8x C 12.1800 -16.1700
15 O1a O 17.0800 -11.9700
BOND 17
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 3 15 1
|