ATOM 28
1 C1y C 26.9580 -17.8250
2 N1y N 26.4193 -15.1287
3 C1z C 27.8780 -18.5546
4 C1x C 25.6868 -17.8404
5 C1y C 26.4193 -16.5814
6 C1x C 28.9493 -16.5874
7 C1y C 24.7606 -18.5002
8 C1x C 27.6844 -17.3138
9 C1x C 25.1421 -17.3138
10 O7a O 23.6409 -17.8525
11 C7a C 22.5150 -18.4881
12 O6a O 22.5211 -19.7532
13 C1a C 27.1444 -19.8020
14 C1a C 29.1264 -19.2754
15 C1d C 21.3968 -17.8390
16 C8y C 21.4000 -16.5460
17 C8y C 20.2757 -18.4827
18 O1a O 20.2692 -17.1837
19 C8x C 22.4535 -15.7855
20 C8x C 22.0568 -14.5549
21 C8x C 20.7640 -14.5519
22 S2x S 20.3615 -15.7805
23 S2x S 19.0915 -17.9527
24 C8x C 18.2240 -18.9115
25 C8x C 18.8679 -20.0327
26 C8x C 20.1333 -19.7669
27 C1a C 26.4056 -13.6802
28 X Cl 31.6936 -16.8911
BOND 30
1 3 13 1
2 3 14 1
3 1 2 1
4 11 15 1
5 1 3 1
6 15 16 1
7 1 4 1
8 15 17 1
9 2 5 1
10 15 18 1
11 3 6 1
12 4 7 1
13 5 8 1
14 5 9 1
15 16 19 2
16 19 20 1
17 20 21 2
18 21 22 1
19 22 16 1
20 7 10 1
21 10 11 1
22 11 12 2
23 6 8 1
24 17 23 1
25 23 24 1
26 24 25 2
27 25 26 1
28 26 17 2
29 7 9 1
30 2 27 1
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