ATOM 16
1 C8x C 22.5614 -19.8601
2 C8x C 22.5614 -21.2602
3 C8x C 23.7779 -21.9639
4 C8x C 24.9873 -21.2602
5 C8y C 24.9873 -19.8601
6 C8x C 23.7779 -19.1635
7 C1b C 26.2012 -19.1645
8 O2a O 27.4141 -19.8619
9 C8y C 28.6211 -19.1662
10 C8x C 29.8305 -19.8639
11 C8x C 31.1146 -19.1684
12 C8y C 31.0456 -17.7682
13 C8x C 29.8327 -17.0637
14 C8x C 28.6186 -17.7664
15 C1b C 32.2596 -17.0656
16 O1a O 33.4727 -17.7701
BOND 17
1 7 8 1
2 2 3 1
3 8 9 1
4 3 4 2
5 4 5 1
6 5 6 2
7 6 1 1
8 9 10 2
9 10 11 1
10 11 12 2
11 12 13 1
12 13 14 2
13 14 9 1
14 5 7 1
15 12 15 1
16 1 2 2
17 15 16 1
|