ATOM 25
1 C8y C 26.8694 -16.3717
2 C8x C 28.0726 -17.0781
3 C8x C 29.2881 -16.3833
4 C8y C 29.2941 -14.9831
5 C8x C 28.0845 -14.2777
6 N5x N 26.8689 -14.9727
7 C7a C 30.5096 -14.2881
8 O7a O 31.7192 -14.9934
9 O6a O 30.5157 -12.8879
10 C1b C 32.9349 -14.2984
11 C1a C 34.1445 -15.0038
12 C1x C 18.3938 -18.4674
13 C1x C 18.3938 -19.8676
14 S2x S 19.6093 -20.5677
15 C1z C 19.6093 -17.7673
16 C8y C 20.8177 -18.4674
17 C8y C 20.8116 -19.8676
18 C8x C 22.0212 -20.5728
19 C8x C 23.2369 -19.8780
20 C8y C 23.2428 -18.4778
21 C8x C 22.0332 -17.7724
22 C1a C 20.5930 -16.7702
23 C1a C 18.6059 -16.7702
24 C3b C 24.4584 -17.7830
25 C3b C 25.6634 -17.0742
BOND 27
1 2 3 1
2 3 4 2
3 4 5 1
4 5 6 2
5 6 1 1
6 4 7 1
7 7 8 1
8 7 9 2
9 8 10 1
10 10 11 1
11 13 14 1
12 14 17 1
13 16 15 1
14 15 12 1
15 16 17 2
16 17 18 1
17 18 19 2
18 19 20 1
19 20 21 2
20 21 16 1
21 15 22 1
22 12 13 1
23 15 23 1
24 20 24 1
25 1 2 2
26 24 25 3
27 25 1 1
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