ATOM 22
1 C8y C 18.8582 -21.8811
2 C8y C 18.8640 -20.5217
3 C8y C 20.0310 -22.5639
4 C8y C 17.6679 -22.5579
5 C1y C 20.0368 -19.8390
6 C8x C 17.6855 -19.8156
7 C1x C 21.2097 -21.8870
8 C8x C 20.0310 -23.9233
9 N4x N 17.6679 -23.9233
10 C8x C 16.4893 -21.8637
11 C1y C 21.2097 -20.5217
12 C1x C 20.0484 -18.4796
13 C8x C 16.4951 -20.4924
14 N1y N 22.3941 -19.8566
15 C1y C 21.2329 -17.8144
16 C1x C 22.4057 -18.4970
17 C1b C 23.5610 -20.5391
18 C1b C 21.2388 -16.4432
19 C1b C 24.7513 -19.8682
20 S2a S 22.4233 -15.7663
21 C1a C 25.9241 -20.5625
22 C1a C 22.4349 -14.4011
BOND 25
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 11 14 1
14 12 15 1
15 14 16 1
16 14 17 1
17 15 18 1 #Up
18 17 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 7 11 1
23 8 9 1
24 10 13 2
25 15 16 1
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