ATOM 29
1 C8x C 37.8776 -18.8122
2 C8x C 37.8776 -20.2155
3 C8x C 39.0929 -20.9171
4 C8x C 40.3082 -20.2155
5 C8y C 40.3082 -18.8122
6 C8x C 39.0929 -18.1105
7 C8x C 42.7387 -20.2155
8 C8y C 42.7387 -18.8122
9 C2c C 41.5235 -18.1105
10 C8x C 43.9541 -20.9171
11 C8y C 45.1694 -20.2155
12 C8x C 45.1694 -18.8122
13 C8x C 43.9541 -18.1105
14 C2c C 41.5235 -16.7072
15 C8y C 42.7408 -16.0044
16 C1b C 40.3102 -16.0068
17 C1b C 39.1129 -16.6982
18 X Cl 37.9223 -16.0108
19 C8x C 43.9402 -16.6970
20 C8x C 45.1555 -15.9954
21 C8x C 45.1556 -14.5921
22 C8x C 43.9563 -13.8996
23 C8x C 42.7409 -14.6011
24 O2a O 46.3887 -20.9194
25 C1b C 47.5890 -20.2263
26 C1b C 48.7781 -20.9128
27 N1c N 49.9728 -20.2229
28 C1a C 51.1648 -20.9110
29 C1a C 49.9728 -18.8125
BOND 31
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 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 9 14 2
16 14 15 1
17 14 16 1
18 16 17 1
19 17 18 1
20 15 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 15 23 1
26 11 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 27 29 1
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