ATOM 18
1 C2y C 24.3945 -18.8417
2 C5x C 23.1808 -18.1473
3 C1b C 25.6021 -18.1473
4 C2x C 24.3945 -20.2478
5 C2x C 21.9672 -18.8417
6 O5x O 23.1867 -16.7412
7 C2b C 26.8158 -18.8358
8 C5x C 23.1808 -20.9539
9 C2x C 21.9672 -20.2478
10 C2c C 28.0294 -18.1416
11 O5x O 23.1867 -22.3541
12 C1b C 29.2431 -18.8301
13 C1a C 28.0236 -16.7353
14 C1b C 30.4449 -18.1299
15 C2b C 31.6587 -18.8241
16 C2c C 32.8722 -18.1240
17 C1a C 34.0857 -18.8184
18 C1a C 32.8664 -16.7238
BOND 18
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 2
9 7 10 2
10 8 11 2
11 10 12 1
12 10 13 1
13 12 14 1
14 14 15 1
15 15 16 2
16 16 17 1
17 16 18 1
18 8 9 1
|