ATOM 30
1 C1y C 27.6671 -18.6289
2 C1y C 29.0721 -18.6289
3 C1z C 28.3660 -17.4208
4 C7a C 30.2659 -19.3140
5 O7a O 31.4544 -18.6235
6 O6a O 30.2697 -20.7197
7 C1c C 32.6488 -19.3089
8 C8y C 33.8330 -18.6210
9 C3b C 32.6488 -20.7089
10 N3a N 32.6488 -22.1089
11 C8x C 35.0295 -19.3077
12 C8y C 36.2401 -18.6046
13 C8x C 36.2365 -17.2046
14 C8x C 35.0400 -16.5179
15 C8x C 33.8294 -17.2210
16 O2a O 37.4760 -19.3138
17 C8y C 38.6644 -18.6234
18 C8x C 39.8588 -19.3088
19 C8x C 41.0694 -18.6057
20 C8x C 41.0658 -17.2057
21 C8x C 39.8713 -16.5202
22 C8x C 38.6607 -17.2234
23 C1a C 29.2860 -16.2909
24 C1a C 27.3761 -16.2909
25 C1c C 26.4455 -19.3336
26 C1d C 25.2384 -18.6360
27 X Br 24.0564 -19.3179
28 X Br 25.2386 -17.2204
29 X Br 24.0260 -17.9360
30 X Br 26.4451 -20.7199
BOND 32
1 1 2 1
2 2 3 1
3 3 1 1
4 2 4 1
5 4 5 1
6 4 6 2
7 5 7 1
8 7 8 1
9 7 9 1
10 9 10 3
11 8 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 8 15 1
17 12 16 1
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 3 23 1
26 3 24 1
27 1 25 1
28 25 26 1
29 26 27 1
30 26 28 1
31 26 29 1
32 25 30 1
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