ATOM 17
1 C1y C 28.3146 -20.2427
2 C1y C 28.3146 -18.8458
3 C1z C 29.4132 -21.1192
4 C1y C 27.1106 -20.9438
5 C1z C 29.4132 -17.9634
6 C1x C 27.1106 -18.1445
7 C1x C 30.7866 -20.8036
8 C1a C 28.9116 -22.3759
9 C1a C 30.4775 -22.3856
10 C2y C 25.8951 -20.2427
11 O1a O 27.1106 -22.3406
12 C1x C 30.7807 -18.2672
13 C1a C 30.1028 -16.7479
14 O1a O 29.0450 -16.6075
15 C2x C 25.8951 -18.8458
16 C1x C 31.3886 -19.5354
17 C1a C 24.6854 -20.9438
BOND 18
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1 #Up
11 5 12 1
12 5 13 1 #Down
13 5 14 1 #Up
14 6 15 1
15 7 16 1
16 10 17 1
17 10 15 2
18 12 16 1
|