ATOM 16
1 C8x C 19.7611 -22.6560
2 C8y C 19.7611 -24.0571
3 C8x C 20.9713 -24.7541
4 C8x C 20.9713 -21.9520
5 C8y C 22.1814 -22.6560
6 C8y C 22.1755 -24.0571
7 C8x C 23.3866 -24.7591
8 C8x C 24.6739 -24.0674
9 C8y C 24.6100 -22.6663
10 C8x C 23.3986 -21.9572
11 C1b C 25.8159 -21.9520
12 O1a O 18.5232 -24.7724
13 C1b C 27.0589 -22.6507
14 C6a C 28.2727 -21.9309
15 O6a O 29.4898 -22.6146
16 O6a O 28.2560 -20.5102
BOND 17
1 1 2 1
2 2 3 2
3 3 6 1
4 5 4 1
5 4 1 2
6 5 6 2
7 6 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 5 1
12 9 11 1
13 2 12 1
14 11 13 1
15 13 14 1
16 14 15 1
17 14 16 2
|