ATOM 17
1 C8x C 18.7600 -15.3300
2 C8y C 18.7600 -16.7300
3 C8x C 19.9724 -17.4300
4 C8y C 21.1849 -16.7300
5 C8y C 21.1849 -15.3300
6 C8x C 19.9724 -14.6300
7 C1z C 22.5164 -17.1626
8 C1x C 23.3393 -16.0300
9 O2x O 22.5164 -14.8974
10 C1a C 21.8247 -18.4146
11 O2a O 17.5476 -17.4300
12 S4a S 16.3521 -16.7396
13 C1b C 15.1397 -16.0396
14 O3c O 17.0630 -15.5079
15 O3c O 15.6635 -17.9328
16 C1a C 13.9168 -16.7458
17 C1a C 23.2164 -18.3750
BOND 18
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 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 7 10 1
12 2 11 1
13 11 12 1
14 12 13 1
15 12 14 2
16 12 15 2
17 13 16 1
18 7 17 1
|