ATOM 27
1 C8y C 12.2500 -17.0800
2 C8x C 12.2500 -18.4800
3 C8x C 13.4624 -19.1800
4 C8y C 14.6749 -18.4800
5 C8y C 14.6749 -17.0800
6 C8x C 13.4624 -16.3800
7 C8y C 16.0064 -18.9126
8 C8x C 16.8293 -17.7800
9 N4x N 16.0064 -16.6474
10 C1b C 17.2424 -19.6000
11 C1c C 18.4549 -18.9000
12 C5a C 19.6673 -19.6000
13 N1b N 20.8797 -18.9000
14 C2b C 22.0922 -19.6000
15 C2b C 23.3046 -18.9000
16 C8y C 24.5170 -19.6000
17 N1a N 18.4549 -17.5002
18 O5a O 19.6673 -21.0000
19 C8x C 24.5170 -20.9999
20 C8y C 25.7295 -21.6999
21 C8y C 26.9419 -20.9999
22 C8y C 26.9419 -19.6000
23 C8x C 25.7295 -18.9000
24 O1a O 28.1604 -18.8965
25 O1a O 28.1604 -21.7034
26 O1a O 25.7295 -23.0997
27 X Br 11.0376 -16.3800
BOND 29
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 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 7 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 11 17 1 #Down
19 12 18 2
20 16 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 16 23 1
26 22 24 1
27 21 25 1
28 20 26 1
29 1 27 1
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