ATOM 15
1 C1a C 29.5301 -16.9242
2 C8x C 27.1254 -21.1368
3 C8x C 25.9092 -20.4426
4 C8x C 28.3346 -20.4308
5 C8x C 25.9024 -19.0423
6 C1b C 30.7531 -19.0187
7 C8y C 28.3277 -19.0304
8 C8y C 27.1117 -18.3363
9 C1c C 29.5369 -18.3244
10 C7a C 25.8888 -16.2419
11 O6a O 25.8819 -14.8416
12 N1b N 24.6796 -16.9479
13 O7a O 27.1049 -16.9360
14 C1a C 31.9623 -18.3126
15 C1a C 23.4836 -16.2647
BOND 15
1 1 9 1
2 2 3 2
3 2 4 1
4 3 5 1
5 4 7 2
6 5 8 2
7 6 9 1
8 7 8 1
9 7 9 1
10 8 13 1
11 10 11 2
12 10 12 1
13 10 13 1
14 6 14 1
15 12 15 1
|