ATOM 37
1 C2y C 15.0642 -15.6270
2 C2y C 15.7681 -16.8237
3 C2x C 17.1760 -16.8240
4 C1z C 17.8800 -15.5566
5 C1y C 17.1760 -14.3599
6 C2y C 15.7681 -14.3599
7 C1x C 18.7247 -16.6829
8 C2y C 19.9918 -16.2605
9 N2x N 19.9918 -14.8526
10 O2x O 18.6543 -14.4303
11 O1a O 17.8096 -13.1632
12 X Br 14.9938 -13.1632
13 O2a O 13.5859 -15.5566
14 X Br 15.0642 -18.0203
15 C5a C 21.2588 -16.8940
16 N1b N 22.4555 -16.1901
17 C1b C 23.6522 -16.8940
18 C1c C 24.9193 -16.1901
19 C8y C 26.1160 -16.8940
20 C1a C 12.8820 -14.4303
21 O5a O 21.2588 -18.3019
22 O1a O 24.9193 -14.7822
23 C8x C 26.1045 -18.3019
24 C8y C 27.3180 -19.0157
25 C8y C 28.6134 -18.3217
26 C8y C 28.5544 -16.9139
27 C8x C 27.3409 -16.2001
28 X Br 29.8071 -16.2043
29 X Br 27.3066 -20.4137
30 O2a O 29.7229 -19.0157
31 C1b C 30.9392 -18.3264
32 C1y C 32.0233 -18.9011
33 C1x C 32.4168 -20.2528
34 N1x N 33.8241 -20.2963
35 C7x C 34.3002 -18.9715
36 O7x O 33.1873 -18.1091
37 O6a O 35.6256 -18.5862
BOND 40
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 4 10 1
12 5 11 1
13 6 12 1
14 1 13 1
15 2 14 1
16 8 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 13 20 1
22 15 21 2
23 18 22 1
24 19 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 19 27 1
30 26 28 1
31 24 29 1
32 25 30 1
33 30 31 1
34 32 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 32 36 1
39 31 32 1
40 35 37 2
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