ATOM 21
1 C8x C 29.9805 -16.2596
2 C8y C 29.9805 -17.6618
3 C8x C 31.1949 -18.3630
4 C8y C 32.4093 -17.6618
5 C8y C 32.4093 -16.2596
6 C8x C 31.1949 -15.5585
7 N5x N 33.7429 -18.0951
8 C8y C 34.5672 -16.9607
9 N4x N 33.7429 -15.8263
10 N1b N 35.9401 -16.9607
11 C5a C 28.7662 -18.3630
12 C8y C 27.5688 -17.6715
13 O5a O 28.7661 -19.7650
14 C7a C 36.6412 -15.7464
15 O7a O 38.0433 -15.7464
16 O6a O 35.9497 -14.5490
17 C1a C 38.7349 -14.5489
18 S2x S 27.5959 -16.2621
19 C8x C 26.2663 -15.7971
20 C8x C 25.4131 -16.9179
21 C8x C 26.2155 -18.0756
BOND 23
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 2
9 8 9 1
10 5 9 1
11 8 10 1
12 2 11 1
13 11 12 1
14 11 13 2
15 10 14 1
16 14 15 1
17 14 16 2
18 15 17 1
19 12 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 12 21 2
|