ATOM 27
1 C2y C 17.5179 -16.6140
2 C2y C 18.2160 -17.8006
3 C1y C 19.6122 -17.8006
4 C1z C 20.3102 -16.6140
5 C2x C 19.6122 -15.3573
6 C2y C 18.2160 -15.3575
7 O2x O 21.1479 -17.8006
8 N2x N 22.4742 -17.3818
9 C2y C 22.4742 -15.9159
10 C1x C 21.1479 -15.4971
11 O1a O 20.2953 -18.9951
12 X Br 17.5259 -19.0070
13 O2a O 16.1006 -16.5618
14 C1a C 15.4036 -17.8745
15 X Br 17.4898 -14.1235
16 C5a C 23.6824 -15.1900
17 N1b N 24.8949 -15.8900
18 C1b C 26.1073 -15.1900
19 C1b C 27.3197 -15.8900
20 C1b C 28.5322 -15.1900
21 O5a O 23.6703 -13.7900
22 C8y C 29.8137 -15.7875
23 C8x C 30.2080 -17.1308
24 N5x N 31.6075 -17.1709
25 C8y C 32.0781 -15.8524
26 N4x N 30.9695 -14.9974
27 N1a N 33.4130 -15.4603
BOND 29
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1 #Down
8 7 8 1
9 8 9 2
10 9 10 1
11 4 10 1
12 3 11 1 #Up
13 2 12 1
14 1 13 1
15 13 14 1
16 6 15 1
17 9 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 16 21 2
23 22 23 2
24 23 24 1
25 24 25 2
26 25 26 1
27 22 26 1
28 20 22 1
29 25 27 1
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