ATOM 22
1 C8x C 11.3400 -14.0700
2 C8y C 11.3400 -15.4700
3 C8x C 12.5300 -16.1700
4 C8y C 13.7200 -15.4700
5 C8y C 13.7200 -14.0700
6 C8y C 12.5300 -13.3700
7 C5x C 14.9800 -16.1700
8 C8y C 16.1700 -15.4700
9 C8y C 16.1700 -14.0700
10 C5x C 14.9800 -13.3700
11 C8x C 17.3600 -16.1700
12 C8y C 18.6200 -15.4700
13 C8x C 18.6200 -14.0700
14 C8y C 17.3600 -13.3700
15 O5x O 14.9800 -11.9700
16 O5x O 14.9800 -17.5700
17 O1a O 12.5300 -11.9700
18 O1a O 10.0800 -16.1700
19 O1a O 19.8100 -16.1700
20 C1b C 17.3600 -11.9700
21 C1b C 18.5500 -11.2700
22 C1a C 18.5500 -9.8700
BOND 24
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 10 15 2
18 7 16 2
19 6 17 1
20 2 18 1
21 12 19 1
22 14 20 1
23 20 21 1
24 21 22 1
|