ATOM 17
1 C2x C 18.8284 -16.1009
2 C1x C 18.0976 -17.2950
3 C1y C 18.7663 -18.5250
4 C1z C 20.1658 -18.5609
5 C1z C 20.8967 -17.3668
6 C2y C 20.2280 -16.0668
7 C1x C 21.6838 -18.5398
8 C1x C 23.1126 -18.1536
9 C1y C 23.0952 -16.7420
10 C1x C 21.7690 -16.2557
11 X Br 18.0224 -19.7400
12 C1a C 20.8286 -19.7800
13 C1a C 19.4382 -19.7496
14 C1a C 20.9288 -14.8869
15 C5a C 24.4952 -16.7420
16 O5a O 25.1913 -17.9474
17 C1a C 25.2016 -15.5185
BOND 18
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 5 7 1 #Up
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 3 11 1 #Down
13 4 12 1
14 4 13 1
15 6 14 1
16 9 15 1
17 15 16 2
18 15 17 1
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