ATOM 21
1 C8y C 27.6582 -15.2281
2 C8y C 27.6525 -16.6312
3 C8x C 26.4472 -14.5234
4 O2x O 28.8751 -14.5294
5 C8y C 28.8635 -17.3300
6 C8y C 26.4472 -17.3242
7 C8y C 25.2303 -15.2281
8 C8x C 30.0863 -15.2397
9 C8y C 30.0804 -16.6429
10 O5x O 28.8578 -18.7333
11 C8x C 25.2303 -16.6312
12 O1a O 26.4529 -18.7274
13 O2a O 24.0250 -14.5234
14 C8y C 31.2916 -17.3416
15 C1a C 22.8140 -15.2281
16 C8x C 31.2740 -18.7390
17 C8x C 32.4969 -16.6488
18 C8x C 32.4852 -19.4494
19 C8x C 33.7021 -17.3533
20 C8y C 33.6962 -18.7507
21 O1a O 34.9073 -19.4611
BOND 23
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 2
11 6 12 1
12 7 13 1
13 9 14 1
14 13 15 1
15 14 16 2
16 14 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 20 21 1
21 7 11 1
22 8 9 2
23 19 20 1
|