ATOM 24
1 C8x C 18.8076 -20.2443
2 C8x C 18.8076 -21.6440
3 C8x C 20.0227 -22.3438
4 C8x C 21.2307 -21.6440
5 C8y C 21.2307 -20.2443
6 C8x C 20.0227 -19.5445
7 C2c C 22.4433 -19.5453
8 C8y C 23.6550 -20.2462
9 C2y C 22.4444 -18.1457
10 C8x C 23.6484 -21.6438
11 C8x C 24.8601 -22.3445
12 C8x C 26.0726 -21.6457
13 C8x C 26.0736 -20.2460
14 C8x C 24.8621 -19.5452
15 C1x C 23.5749 -17.3210
16 C1x C 23.1435 -15.9894
17 N2y N 21.7439 -15.9885 #+
18 C1y C 21.3102 -17.3193
19 C1a C 19.9786 -17.7504
20 C1b C 22.1018 -14.6245
21 C1b C 20.3417 -15.9817
22 C1a C 23.4519 -14.2553
23 C1a C 19.6478 -14.7662
24 X Br 27.2622 -16.0806 #-
BOND 25
1 6 1 1
2 8 10 2
3 10 11 1
4 11 12 2
5 12 13 1
6 13 14 2
7 14 8 1
8 5 7 1
9 7 8 1
10 9 15 1
11 15 16 1
12 16 17 1
13 17 18 1
14 18 9 1
15 1 2 2
16 18 19 1
17 7 9 2
18 17 20 1
19 2 3 1
20 17 21 1
21 3 4 2
22 20 22 1
23 4 5 1
24 21 23 1
25 5 6 2
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