ATOM 25
1 C8y C 23.3826 -16.4322
2 C8y C 22.1579 -17.1122
3 C8y C 23.3826 -15.0229
4 N4y N 24.6072 -17.1415
5 C8y C 20.9626 -16.3960
6 S2x S 22.1579 -18.5379
7 C8y C 24.6072 -14.3183
8 C8x C 22.1579 -14.2541
9 C8x C 25.8375 -16.4673
10 C1x C 24.6072 -18.5555
11 N1y N 19.8149 -17.1122
12 C8y C 20.9450 -14.9470
13 C1x C 23.3826 -19.2483
14 C8y C 25.8375 -15.0358
15 O5x O 24.6072 -12.9330
16 C1x C 19.7973 -18.5730
17 C1x C 18.5670 -16.5443
18 X F 19.7729 -14.2541
19 C6a C 26.9630 -14.4492
20 C1x C 18.6722 -19.3315
21 C1x C 17.3646 -17.2712
22 O6a O 26.9630 -13.0549
23 O6a O 28.0812 -15.1306
24 N1y N 17.3646 -18.6980
25 C1a C 16.1925 -19.4798
BOND 28
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 11 16 1
16 11 17 1
17 12 18 1
18 14 19 1
19 16 20 1
20 17 21 1
21 19 22 2
22 19 23 1
23 20 24 1
24 24 25 1
25 8 12 2
26 9 14 2
27 10 13 1
28 21 24 1
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