ATOM 32
1 C8y C 23.4904 -14.3230
2 C8x C 23.4904 -15.7214
3 C8y C 24.7014 -16.4206
4 C8y C 25.9124 -15.7214
5 C8y C 25.9124 -14.3230
6 C8x C 24.7014 -13.6238
7 X Br 24.7014 -17.8188
8 X Br 22.2794 -13.6238
9 C1b C 27.1421 -13.6129
10 N1c N 28.3459 -14.3077
11 C1y C 29.5269 -13.6257
12 C1x C 30.7195 -14.3142
13 C1x C 31.9305 -13.6150
14 C1x C 31.9305 -12.2167
15 C1x C 30.7380 -11.5282
16 C1x C 29.5269 -12.2274
17 C1a C 28.3463 -15.7210
18 N1b N 27.1421 -16.4316
19 C5a C 27.1485 -17.8188
20 C8y C 28.3458 -18.5030
21 O5a O 25.9240 -18.5334
22 C8x C 28.3525 -19.9160
23 C8x C 29.5668 -20.6095
24 C8y C 30.7745 -19.9047
25 C8y C 30.7678 -18.4916
26 C8x C 29.5535 -17.7981
27 O2a O 31.9596 -17.7963
28 C1a C 33.1765 -18.4916
29 O7a O 31.9843 -20.5957
30 C7a C 31.9915 -22.0135
31 C1a C 33.2279 -22.7195
32 O6a O 30.8055 -22.7063
BOND 34
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 3 7 1
8 1 8 1
9 5 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 11 16 1
18 10 17 1
19 4 18 1
20 18 19 1
21 19 20 1
22 19 21 2
23 20 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 20 26 1
29 25 27 1
30 27 28 1
31 24 29 1
32 29 30 1
33 30 31 1
34 30 32 2
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