ATOM 26
1 C8x C 29.9571 -19.0917
2 C8x C 29.9571 -20.5008
3 C8x C 31.1774 -21.2053
4 C8y C 32.3977 -20.5008
5 C8y C 32.3977 -19.0917
6 C8y C 31.1774 -18.3871
7 C1x C 33.7379 -20.9362
8 C1z C 34.5661 -19.7962
9 O2x O 33.7379 -18.6563
10 O7a O 31.1774 -16.9783
11 C7a C 29.9402 -16.2638
12 N1c N 28.7284 -16.9634
13 S2a S 27.5378 -16.2758
14 C1a C 28.7281 -18.3868
15 O6a O 29.9404 -14.8645
16 N1c N 26.3365 -16.9695
17 C1b C 25.1406 -16.2790
18 C1b C 23.9420 -16.9710
19 C1b C 22.7446 -16.2798
20 C1a C 21.5467 -16.9714
21 C1b C 26.3363 -18.3868
22 C1b C 25.1368 -19.0795
23 C1b C 23.9439 -18.3908
24 C1a C 22.7437 -19.0838
25 C1a C 35.7786 -19.0962
26 C1a C 35.5561 -20.7862
BOND 27
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 6 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 12 14 1
16 11 15 2
17 13 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 16 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 8 25 1
27 8 26 1
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