ATOM 15
1 C1z C 27.6442 -15.9999
2 C1y C 27.6382 -17.3485
3 C1y C 26.4825 -18.0256
4 C1x C 26.4825 -15.3228
5 C1y C 28.8175 -15.3287
6 C1y C 28.8058 -18.0314
7 C2y C 25.3149 -17.3485
8 C1x C 25.3149 -15.9999
9 C1x C 29.9792 -16.0116
10 C1a C 28.8233 -13.9861
11 C1x C 29.9732 -17.3602
12 C1c C 28.8699 -19.3800
13 C2a C 24.1475 -18.0256
14 C1a C 27.6266 -20.0512
15 C1a C 29.9616 -20.0629
BOND 17
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1
5 2 6 1
6 3 7 1 #Up
7 4 8 1
8 5 9 1
9 5 10 1 #Down
10 6 11 1
11 6 12 1 #Up
12 7 13 2
13 12 14 1
14 12 15 1
15 2 3 1
16 7 8 1
17 9 11 1
| 
