ATOM 15
1 C8x C 12.8100 -17.8500
2 C8x C 12.8100 -19.2500
3 C8x C 14.0224 -19.9500
4 C8y C 15.2349 -19.2500
5 C8y C 15.2349 -17.8500
6 C8x C 14.0224 -17.1500
7 C8x C 16.5664 -19.6826
8 C8y C 17.3893 -18.5500
9 O2x O 16.5664 -17.4174
10 C8y C 18.7600 -18.5500
11 C8x C 19.4600 -19.7624
12 C8x C 20.8600 -19.7624
13 N5x N 21.5600 -18.5500
14 C8x C 20.8600 -17.3376
15 C8x C 19.4600 -17.3376
BOND 17
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 8 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
|