ATOM 26
1 C1x C 12.1800 -17.7800
2 C1x C 12.1800 -19.1800
3 C1x C 13.3924 -19.8800
4 C1y C 14.6049 -19.1800
5 C1z C 14.6049 -17.7800
6 C1x C 13.3924 -17.0800
7 C1x C 15.8173 -19.8800
8 C1x C 17.0297 -19.1800
9 C1y C 17.0297 -17.7800
10 C1y C 15.8173 -17.0800
11 C1y C 18.2422 -17.0800
12 C1z C 18.2422 -15.6800
13 C1x C 17.0297 -14.9800
14 C1x C 15.8173 -15.6800
15 C1x C 20.6670 -17.0800
16 C1x C 20.6670 -15.6800
17 C1y C 19.4546 -14.9800
18 C8y C 19.4546 -13.5800
19 C8x C 20.6711 -12.8777
20 C8x C 20.6711 -11.4777
21 C8y C 19.4586 -10.7777
22 O7x O 18.2422 -11.4800
23 C8x C 18.2422 -12.8800
24 O6a O 19.4586 -9.3800
25 C1a C 18.2422 -14.2803
26 C1a C 14.6049 -16.3802
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1 #Up
22 18 19 1
23 19 20 2
24 20 21 1
25 21 22 1
26 22 23 1
27 18 23 2
28 21 24 2
29 12 25 1 #Up
30 5 26 1 #Up
|