ATOM 32
1 C1z C 18.6500 -17.4557
2 C1z C 19.9118 -16.7547
3 C1y C 17.4583 -16.7547
4 C1x C 18.6500 -18.8577
5 C1a C 18.0892 -16.0537
6 C2y C 19.9118 -15.4228
7 C1x C 21.1035 -17.5258
8 C1a C 19.8417 -18.1567
9 C1z C 16.2666 -17.4557
10 C1x C 17.4583 -15.3527
11 C1x C 17.4583 -19.5587
12 C1y C 21.1035 -14.7218
13 C2x C 18.7201 -14.7218
14 C1x C 22.2952 -16.8248
15 C1y C 16.2666 -18.8577
16 C1x C 15.0749 -16.7547
17 C1a C 16.2666 -16.0537
18 C1z C 22.2952 -15.4228
19 C1x C 21.1035 -13.3198
20 C1z C 15.0749 -19.5587
21 C1x C 13.8131 -17.4557
22 C1x C 23.5570 -14.7218
23 C4a C 23.4869 -16.1238
24 C1z C 22.3653 -12.6188
25 C1y C 13.8131 -18.8577
26 C1a C 15.5656 -21.0308
27 C1a C 14.3038 -20.7504
28 C1x C 23.5570 -13.3899
29 C1a C 21.6643 -11.4271
30 C1a C 22.9962 -11.4271
31 O1a O 12.6214 -19.5587
32 O4a O 24.6786 -15.4228
BOND 36
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 4 11 1
11 6 12 1
12 6 13 2
13 7 14 1
14 9 15 1
15 9 16 1
16 9 17 1 #Up
17 12 18 1
18 12 19 1
19 15 20 1
20 16 21 1
21 18 22 1
22 18 23 1 #Up
23 19 24 1
24 20 25 1
25 20 26 1
26 20 27 1
27 22 28 1
28 24 29 1
29 24 30 1
30 25 31 1 #Up
31 10 13 1
32 11 15 1
33 14 18 1
34 21 25 1
35 24 28 1
36 23 32 2
| 
