ATOM 22
1 N5x N 26.8250 -16.9158
2 C8x C 25.6870 -17.7384
3 C8y C 27.9563 -17.7384
4 N4y N 26.1229 -19.0765
5 C8y C 27.5223 -19.0708
6 C1x C 28.4093 -20.1659
7 N1y N 28.1125 -21.5378
8 C5x C 26.8500 -22.1521
9 S2x S 24.3642 -22.2812
10 C8y C 25.5756 -21.5545
11 C8y C 25.2567 -20.1774
12 C8x C 23.8477 -20.0575
13 C8x C 23.3006 -21.3610
14 C7a C 29.1412 -17.1039
15 O7a O 30.3807 -17.7426
16 C1d C 31.5536 -16.9888
17 C1a C 32.7932 -17.6275
18 C1a C 31.5572 -15.5958
19 C1a C 32.7580 -16.2907
20 C1a C 29.2093 -22.3986
21 O5x O 26.8602 -23.5465
22 O6a O 29.1358 -15.7015
BOND 24
1 4 5 1
2 1 2 2
3 5 6 1
4 9 10 1
5 11 12 1
6 12 13 2
7 13 9 1
8 4 11 1
9 3 14 1
10 5 3 2
11 14 15 1
12 6 7 1
13 15 16 1
14 3 1 1
15 16 17 1
16 7 8 1
17 16 18 1
18 10 8 1
19 16 19 1
20 10 11 2
21 7 20 1
22 2 4 1
23 8 21 2
24 14 22 2
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