ATOM 16
1 C8y C 28.9100 -17.0100
2 C8y C 28.9100 -15.6100
3 C8y C 27.6500 -17.7100
4 C8x C 30.1000 -17.7100
5 C8y C 27.6500 -14.9100
6 O7x O 30.1000 -14.9100
7 C8x C 26.4600 -17.0100
8 O2a O 27.6500 -19.1100
9 C8x C 31.2900 -17.0800
10 C8y C 26.4600 -15.5400
11 O1a O 27.6500 -13.5100
12 C8y C 31.2900 -15.6800
13 C1a C 28.8400 -19.8100
14 O2a O 25.2700 -14.8400
15 O6a O 32.5500 -14.9800
16 C1a C 24.0100 -15.5400
BOND 17
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 5 10 2
10 5 11 1
11 6 12 1
12 8 13 1
13 10 14 1
14 12 15 2
15 14 16 1
16 7 10 1
17 9 12 1
|