ATOM 33
1 C1b C 17.1949 -11.4100
2 C1b C 18.4073 -10.7100
3 C1b C 19.6197 -11.4100
4 N4y N 20.8173 -10.7185
5 C8y C 22.0056 -11.4045
6 C8y C 23.2180 -10.7045
7 C8y C 23.2180 -9.3045
8 N4x N 22.0297 -8.6185
9 C8y C 20.8173 -9.3185
10 O5x O 22.0057 -12.8098
11 O5x O 19.5808 -8.6044
12 C8x C 24.4304 -11.4045
13 C8x C 25.6429 -10.7045
14 C8x C 25.6429 -9.3045
15 C8x C 24.4305 -8.6045
16 C1b C 16.0014 -10.7207
17 N1y N 14.8150 -11.4056
18 C1x C 13.6234 -10.7173
19 C1x C 12.4108 -11.4171
20 N1y N 12.4106 -12.8171
21 C1x C 13.6022 -13.5054
22 C1x C 14.8148 -12.8056
23 C8y C 11.1858 -13.5241
24 C8y C 9.9781 -12.8267
25 C8x C 8.7656 -13.5266
26 C8x C 8.7654 -14.9266
27 C8x C 9.9732 -15.6240
28 C8x C 11.1857 -14.9241
29 S2a S 9.9779 -11.4104
30 C1b C 8.7895 -10.7242
31 C1b C 8.7895 -9.3242
32 C1a C 7.5942 -8.6337
33 X Cl 29.7500 -11.2000
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 4 9 1
10 5 10 2
11 9 11 2
12 6 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 7 15 2
17 1 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 17 22 1
25 20 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 23 28 1
32 24 29 1
33 29 30 1
34 30 31 1
35 31 32 1
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