ATOM 17
1 C8y C 26.1841 -20.2419
2 C8y C 26.1784 -18.8458
3 C8y C 27.5101 -20.6624
4 C8x C 24.9692 -20.9427
5 N4y N 27.5042 -18.4078
6 C8x C 24.9633 -18.1449
7 C8x C 28.3278 -19.5351
8 C1b C 27.4984 -22.0585
9 C8x C 23.7601 -20.2419
10 O2a O 27.4925 -17.0001
11 C8x C 23.7601 -18.8401
12 N1b N 28.7133 -22.7652
13 C1a C 26.2717 -16.2932
14 C2c C 29.9284 -22.0585
15 S2a S 31.1432 -22.7652
16 S0 S 29.9924 -20.6566
17 C1a C 32.3524 -22.0585
BOND 18
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 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 8 12 1
12 10 13 1
13 12 14 1
14 14 15 1
15 14 16 2
16 15 17 1
17 5 7 1
18 9 11 1
|