ATOM 27
1 C8y C 22.5765 -21.0470
2 C8y C 23.7648 -20.3480
3 C8y C 22.5765 -22.4450
4 C8y C 21.3183 -20.3480
5 C1y C 24.9531 -21.0470
6 C8y C 23.7648 -18.9500
7 C8y C 23.7648 -23.1441
8 C8x C 21.3882 -23.1441
9 C8y C 21.3183 -18.9500
10 O2a O 20.1300 -21.0470
11 C1x C 24.9531 -22.4450
12 N1y N 26.2113 -20.3480
13 C8x C 22.5765 -18.2510
14 C1x C 25.0230 -18.2510
15 C8x C 23.7648 -24.5421
16 C8y C 21.3882 -24.5421
17 O2a O 20.1300 -18.2510
18 C1a C 18.9417 -20.3480
19 C1x C 26.2113 -18.9500
20 C1a C 27.3996 -21.0470
21 C8y C 22.5765 -25.2411
22 O2a O 20.1300 -25.2411
23 C1a C 18.8718 -18.9500
24 O2a O 22.5765 -26.6391
25 C1a C 18.9417 -24.5421
26 C1a C 21.3183 -27.3381
27 X Br 27.8883 -25.3089
BOND 29
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 1
15 8 16 2
16 9 17 1
17 10 18 1
18 12 19 1
19 12 20 1
20 15 21 2
21 16 22 1
22 17 23 1
23 21 24 1
24 22 25 1
25 7 11 1
26 9 13 1
27 14 19 1
28 16 21 1
29 24 26 1
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