ATOM 24
1 C1d C 27.0208 -20.0735
2 C8y C 28.2140 -20.7753
3 C1y C 27.0208 -18.6697
4 C1b C 25.8276 -20.7753
5 C8x C 28.2140 -22.1791
6 C8x C 29.4773 -20.0735
7 C1x C 25.8276 -17.9679
8 C1x C 28.2140 -17.9679
9 C1b C 24.5643 -20.0735
10 C8x C 29.4773 -22.8809
11 C8x C 30.6705 -20.7753
12 C1x C 25.8276 -16.5642
13 C1x C 28.2140 -16.5642
14 N1d N 23.3711 -20.7753 #+
15 C8x C 30.6705 -22.1791
16 C1x C 27.0208 -15.8623
17 C1b C 22.1779 -20.0735
18 C1b C 23.3711 -22.1791
19 C1a C 20.9848 -20.7753
20 C1a C 22.1555 -22.8809
21 C1b C 23.3711 -19.3716
22 C1a C 22.3786 -18.3791
23 O1a O 28.2364 -19.3716
24 X Br 19.7214 -18.8101 #-
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 2
10 6 11 1
11 7 12 1
12 8 13 1
13 9 14 1
14 10 15 1
15 12 16 1
16 14 17 1
17 14 18 1
18 17 19 1
19 11 15 2
20 13 16 1
21 18 20 1
22 14 21 1
23 21 22 1
24 1 23 1
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