ATOM 12
1 C1d C 23.5076 -14.7352
2 C1b C 22.2771 -14.0238
3 C1a C 22.6911 -15.8140
4 C1a C 24.6213 -15.4524
5 N1a N 24.2598 -13.5863
6 C8y C 21.0467 -14.7352
7 C8x C 21.0467 -16.1522
8 C8x C 19.8279 -14.0238
9 C8x C 19.8279 -16.8578
10 C8x C 18.5974 -14.7352
11 C8y C 18.5974 -16.1522
12 X Cl 17.3729 -16.8578
BOND 12
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 6 7 1
7 6 8 2
8 7 9 2
9 8 10 1
10 9 11 1
11 11 12 1
12 10 11 2
|