ATOM 22
1 C8y C 12.3200 -16.5200
2 C8x C 12.3200 -17.9200
3 C8y C 13.5100 -18.6200
4 C8y C 14.7000 -17.9200
5 C8y C 14.7000 -16.5200
6 C8x C 13.5100 -15.8200
7 O1a O 11.1300 -15.8200
8 O1a O 15.9600 -15.8200
9 O1a O 13.5100 -20.0200
10 C5a C 15.9600 -18.6200
11 C2b C 17.1500 -17.9200
12 O5a O 15.9600 -20.0200
13 C2b C 17.1500 -16.5200
14 C8y C 18.3400 -15.8200
15 C8x C 19.6000 -16.5200
16 C8y C 20.7900 -15.8200
17 C8y C 20.7900 -14.4200
18 C8x C 19.6000 -13.7200
19 C8x C 18.3400 -14.4200
20 O1a O 21.9800 -13.7200
21 O2a O 21.9800 -16.5200
22 C1a C 23.1700 -15.8200
BOND 23
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 5 8 1
9 3 9 1
10 4 10 1
11 10 11 1
12 10 12 2
13 11 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 17 20 1
22 16 21 1
23 21 22 1
|