ATOM 13
1 C8x C 12.9500 -6.6500
2 C8y C 12.9500 -8.0500
3 C8y C 14.1624 -8.7500
4 C8x C 15.3749 -8.0500
5 C8y C 15.3749 -6.6500
6 C8x C 14.1624 -5.9500
7 C1b C 16.6124 -5.9500
8 C6a C 17.8249 -6.6500
9 O6a O 19.0560 -5.9390
10 O6a O 17.8250 -8.0498
11 O2a O 14.1624 -10.1498
12 O1a O 11.7376 -8.7500
13 C1a C 12.9332 -10.8597
BOND 13
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 5 7 1
8 7 8 1
9 8 9 2
10 8 10 1
11 3 11 1
12 2 12 1
13 11 13 1
|