ATOM 18
1 N5x N 21.0061 -19.3350
2 C8x C 21.0061 -20.7361
3 C8x C 22.2194 -21.4366
4 C8x C 23.4327 -20.7361
5 C8y C 23.4327 -19.3350
6 C8x C 22.2194 -18.6346
7 C2b C 24.6646 -18.6236
8 C2c C 25.8707 -19.3198
9 C8y C 27.0537 -18.6365
10 C8x C 28.2487 -19.3263
11 C8x C 29.4618 -18.6258
12 C8y C 29.4618 -17.2249
13 C8x C 28.2671 -16.5351
14 C8x C 27.0537 -17.2356
15 O2a O 30.6862 -16.5179
16 C3b C 25.8711 -20.7357
17 N3a N 25.9094 -22.1370
18 C1a C 31.9144 -17.2270
BOND 19
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 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 12 15 1
17 8 16 1
18 16 17 3
19 15 18 1
|