ATOM 21
1 C8y C 22.7015 -16.3032
2 C8y C 22.7015 -17.7088
3 C8x C 21.5067 -15.6004
4 C8y C 20.3120 -16.3032
5 C8y C 20.3120 -17.7088
6 C8x C 21.5067 -18.4116
7 X Br 19.1172 -18.3414
8 N4x N 24.0368 -18.1305
9 C8y C 24.8802 -17.0060
10 C8y C 24.0368 -15.8816
11 C1x C 25.9845 -14.4208
12 C1x C 24.5889 -14.5889
13 C1y C 26.2932 -16.8643
14 N1y N 26.8168 -15.5642
15 O2x O 28.1615 -15.1533
16 C1x C 29.3117 -15.9440
17 C1y C 26.9971 -18.0914
18 S2x S 29.4215 -17.3479
19 C1x C 28.3872 -18.3019
20 N1a N 26.2149 -19.2337
21 O1a O 19.0918 -15.6054
BOND 24
1 1 2 1
2 1 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 2 6 2
7 5 7 1
8 2 8 1
9 8 9 1
10 9 10 2
11 1 10 1
12 11 12 1
13 10 12 1
14 15 16 1
15 13 17 1
16 16 18 1
17 14 15 1
18 17 19 1
19 13 14 1
20 18 19 1
21 11 14 1
22 9 13 1
23 17 20 1 #Up
24 4 21 1
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