ATOM 25
1 C1a C 10.6400 -17.8500
2 C1b C 11.8524 -17.1500
3 C1b C 13.0649 -17.8500
4 C1b C 14.2773 -17.1500
5 C1b C 15.4897 -17.8500
6 C1b C 16.7022 -17.1500
7 C1b C 17.9146 -17.8500
8 C1b C 19.1270 -17.1500
9 C1b C 20.3395 -17.8500
10 C1b C 21.5519 -17.1500
11 C1b C 22.7644 -17.8500
12 C1b C 23.9768 -17.1500
13 C1b C 25.1892 -17.8500
14 C1b C 26.4017 -17.1500
15 C1c C 26.4017 -15.7500
16 C7a C 27.6053 -15.0550
17 O6a O 28.7965 -15.7429
18 O7a O 27.6054 -13.6502
19 C1b C 28.7988 -12.9611
20 C1a C 28.7988 -11.5611
21 N1d N 25.1805 -15.0449 #+
22 C1a C 23.9681 -14.3449
23 C1a C 25.8831 -13.8279
24 C1a C 24.4833 -16.2526
25 X Br 13.6500 -12.2500 #-
BOND 23
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 2
17 16 18 1
18 18 19 1
19 19 20 1
20 15 21 1
21 21 22 1
22 21 23 1
23 21 24 1
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