ATOM 20
1 C8y C 25.8451 -16.4439
2 C8y C 24.4412 -16.4380
3 C8y C 26.5443 -15.2320
4 C8x C 26.5326 -17.6616
5 O2x O 23.6197 -17.5626
6 C8x C 23.6314 -15.3020
7 C8x C 27.9483 -15.2437
8 O2a O 25.8451 -14.0203
9 C8x C 27.9309 -17.6732
10 C8y C 22.3614 -17.1197
11 C8y C 22.3031 -15.7215
12 C8y C 28.6357 -16.4613
13 C1a C 26.5502 -12.8086
14 C8x C 21.0912 -17.8246
15 C8x C 21.0912 -15.0283
16 O1a O 30.0456 -16.4672
17 C8y C 19.8736 -17.1255
18 C8x C 19.8736 -15.7215
19 O2a O 18.6618 -17.8305
20 C1a C 17.4442 -17.1255
BOND 22
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 10 14 1
14 11 15 1
15 12 16 1
16 14 17 2
17 15 18 2
18 17 19 1
19 19 20 1
20 9 12 2
21 10 11 2
22 17 18 1
|