ATOM 23
1 C8y C 26.0771 -17.7594
2 C8y C 26.5352 -19.0728
3 C8y C 27.9260 -19.0430
4 C8y C 28.3274 -17.7112
5 N4y N 27.1847 -16.9178
6 C1d C 24.7550 -17.3606
7 X Br 25.7473 -20.2074
8 C3b C 28.7619 -20.1434
9 N3a N 29.4574 -21.3481
10 C8y C 29.7023 -17.2561
11 C8x C 30.8161 -17.9886
12 C8x C 32.0410 -17.3303
13 C8y C 32.0840 -15.9399
14 C8x C 30.9032 -15.2091
15 C8x C 29.6778 -15.8674
16 X Cl 33.2983 -15.2480
17 C1b C 27.1534 -15.2924
18 O2a O 25.9932 -14.6173
19 C1b C 24.8387 -15.3178
20 C1a C 23.6132 -14.6454
21 X F 23.7438 -18.3106
22 X F 24.4422 -16.0274
23 X F 23.4113 -17.0006
BOND 24
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 1
6 1 6 1
7 2 7 1
8 3 8 1
9 8 9 3
10 4 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
17 13 16 1
18 5 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 6 21 1
23 6 22 1
24 6 23 1
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