ATOM 17
1 C1z C 26.5811 -17.1407
2 C2y C 26.5751 -18.5356
3 C1x C 27.7957 -16.4492
4 C1x C 25.3785 -16.4432
5 C1a C 26.5690 -15.7458
6 C2x C 27.7837 -19.2451
7 C1y C 25.3785 -19.2390
8 C1x C 24.1640 -17.1407
9 C1x C 24.1640 -18.5356
10 C1a C 25.3605 -20.6340
11 C1y C 29.0117 -17.1480
12 C1y C 28.9861 -18.5416
13 C2y C 30.3034 -18.9967
14 C7x C 31.1432 -17.8842
15 O7x O 30.3449 -16.7418
16 O6a O 32.5814 -17.8407
17 C2a C 30.7228 -20.3726
BOND 19
1 3 11 1
2 4 8 1
3 6 12 1
4 7 9 1
5 7 10 1 #Up
6 8 9 1
7 1 2 1
8 1 3 1
9 1 4 1
10 1 5 1 #Up
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 11 1
16 2 6 2
17 14 16 2
18 2 7 1
19 13 17 2
|