ATOM 28
1 C8y C 18.8300 -17.2200
2 C8y C 18.8300 -18.6200
3 C8y C 20.0200 -19.3200
4 C8x C 21.2800 -18.6200
5 C8y C 21.2800 -17.2200
6 C8x C 20.0200 -16.5200
7 N1b N 17.5000 -19.3200
8 C5a C 16.3100 -18.6200
9 C8y C 15.1200 -19.3200
10 O5a O 16.3100 -17.4300
11 N5x N 12.8800 -19.3200
12 C8y C 13.3000 -20.6500
13 C8x C 14.7000 -20.6500
14 N4y N 14.0000 -18.4800
15 X Br 12.4600 -21.7700
16 C8y C 14.0000 -17.0800
17 N5x N 15.2124 -16.3800
18 C8x C 15.2124 -14.9800
19 C8x C 14.0000 -14.2800
20 C8x C 12.7876 -14.9800
21 C8y C 12.7876 -16.3800
22 X Cl 11.5921 -17.0704
23 X Cl 22.4866 -16.5100
24 C5a C 20.0028 -20.7199
25 C1a C 17.6147 -16.5249
26 O5a O 18.7950 -21.3977
27 N1b N 21.2193 -21.4423
28 C1a C 22.4426 -20.7561
BOND 30
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 2 7 1
8 7 8 1
9 8 9 1
10 8 10 2
11 11 12 2
12 12 13 1
13 13 9 2
14 9 14 1
15 11 14 1
16 12 15 1
17 14 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 21 22 1
25 5 23 1
26 3 24 1
27 1 25 1
28 24 26 2
29 24 27 1
30 27 28 1
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