ATOM 21
1 C8x C 9.5900 -16.3100
2 C8y C 9.5900 -14.9100
3 C8x C 10.7800 -14.2100
4 C8y C 12.0400 -14.9100
5 C8y C 12.0400 -16.3100
6 C8x C 10.7800 -17.0100
7 N4x N 13.3700 -14.4900
8 C8y C 14.1400 -15.6100
9 N5x N 13.3700 -16.7300
10 S2a S 15.5400 -15.6100
11 O2a O 8.4000 -14.2100
12 C1b C 7.2100 -14.9100
13 C1a C 6.0200 -14.2100
14 C1b C 16.2351 -14.3947
15 C1b C 17.6397 -14.3889
16 N1y N 18.3214 -13.1970
17 C1x C 19.7395 -13.2609
18 C1x C 20.4342 -11.9755
19 O2x O 19.7290 -10.7661
20 C1x C 18.3110 -10.7722
21 C1x C 17.6162 -11.9876
BOND 23
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 2 11 1
13 11 12 1
14 12 13 1
15 10 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 16 21 1
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