ATOM 34
1 C1x C 11.8300 -21.0700
2 C1x C 11.8300 -22.4700
3 S2x S 13.0200 -23.1700
4 C2y C 14.2800 -22.4700
5 C2y C 14.2800 -21.0700
6 S2x S 13.0200 -20.3700
7 C1y C 15.6100 -22.8900
8 N1y N 16.3800 -21.7700
9 C5x C 15.6100 -20.6500
10 O5x O 16.0300 -19.3200
11 C8y C 17.7800 -21.7700
12 C8x C 18.4800 -22.9600
13 C8x C 19.8800 -22.9600
14 C8y C 20.5800 -21.7700
15 C8y C 19.8800 -20.5800
16 N5x N 18.4800 -20.5800
17 C8x C 21.9800 -21.7700
18 C8x C 22.6800 -20.5800
19 C8y C 21.9800 -19.3200
20 N5x N 20.5800 -19.3200
21 X Cl 22.6800 -18.1300
22 O7a O 15.6100 -24.2900
23 C7a C 16.8224 -24.9900
24 O6a O 18.0179 -24.2996
25 N1y N 16.8225 -26.3898
26 C1x C 15.5933 -27.0998
27 C1x C 15.5935 -28.4998
28 N1y N 16.8061 -29.1996
29 C1x C 18.0353 -28.4896
30 C1x C 18.0351 -27.0896
31 C5a C 16.8062 -30.5900
32 C1b C 18.0141 -31.2871
33 O5a O 15.5892 -31.2929
34 C1a C 19.2070 -30.5980
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 9 10 2
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 14 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 15 20 1
24 19 21 1
25 7 22 1
26 22 23 1
27 23 24 2
28 23 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 25 30 1
35 28 31 1
36 31 32 1
37 31 33 2
38 32 34 1
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