ATOM 20
1 C8x C 28.0072 -20.1476
2 C8y C 28.0072 -17.3436
3 C8y C 26.7964 -18.0481
4 C8y C 26.8023 -19.4501
5 N4x N 25.5902 -20.1527
6 C8y C 25.5783 -17.3488
7 C8y C 24.3662 -18.0584
8 C8y C 24.3789 -19.4567
9 C8x C 23.1731 -20.1633
10 C8x C 21.9620 -19.4785
11 C8x C 21.9493 -18.0802
12 C8x C 23.1479 -17.3667
13 C8y C 29.2252 -19.4501
14 C8y C 29.2284 -18.0476
15 O2x O 30.5637 -17.6195
16 C1x C 31.3810 -18.7503
17 O2x O 30.5583 -19.8843
18 O5x O 25.5200 -15.9417
19 O2a O 28.0134 -15.9486
20 C1a C 29.2120 -15.2592
BOND 23
1 3 2 1
2 3 4 2
3 7 8 2
4 8 9 1
5 9 10 2
6 10 11 1
7 11 12 2
8 12 7 1
9 4 5 1
10 5 8 1
11 7 6 1
12 6 3 1
13 2 14 2
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 13 1
19 6 18 2
20 13 1 2
21 2 19 1
22 1 4 1
23 19 20 1
|