ATOM 19
1 C8y C 29.1163 -18.3966
2 C8x C 30.3285 -19.1014
3 C8x C 31.5352 -18.3995
4 C8x C 31.5369 -17.0000
5 C8x C 30.3319 -16.3023
6 C8x C 29.1180 -16.9971
7 C8x C 21.8509 -16.9942
8 C8x C 21.8509 -18.3966
9 C8x C 23.0622 -19.1014
10 C8x C 23.0622 -16.2966
11 C8y C 24.2735 -16.9942
12 C8y C 24.2674 -18.3966
13 N4y N 25.4799 -19.1065
14 C8y C 26.6983 -18.4070
15 N5x N 26.7042 -17.0045
16 C8y C 25.4919 -16.3018
17 C1b C 27.9043 -19.1014
18 O5x O 25.4800 -14.8943
19 C1a C 25.4660 -20.5037
BOND 21
1 9 12 1
2 11 10 1
3 10 7 2
4 4 5 1
5 5 6 2
6 6 1 1
7 1 2 2
8 2 3 1
9 11 12 2
10 12 13 1
11 13 14 1
12 14 15 2
13 15 16 1
14 16 11 1
15 3 4 2
16 14 17 1
17 17 1 1
18 7 8 1
19 16 18 2
20 8 9 2
21 13 19 1
|