ATOM 35
1 C2x C 18.4383 -27.3136
2 C5x C 19.8345 -27.3136
3 N1y N 20.2659 -25.9856
4 C1y C 19.1364 -25.1650
5 C2x C 18.0069 -25.9856
6 C1a C 19.1364 -23.7531
7 O5x O 20.6553 -28.4432
8 C5a C 21.5821 -25.5580
9 O5a O 22.9029 -26.4259
10 C2b C 21.6445 -24.2633
11 C2c C 22.8988 -23.6178
12 C1b C 24.0762 -24.3757
13 C1b C 25.3285 -23.7310
14 N1b N 26.5278 -24.5026
15 C5a C 27.7369 -23.8044
16 C1b C 28.9438 -24.5013
17 C1b C 30.1192 -23.8227
18 C2b C 31.3118 -24.5115
19 O5a O 27.7368 -22.4268
20 O2a O 22.9663 -22.2186
21 C1a C 24.2161 -21.5754
22 C2b C 32.4930 -23.8230
23 C1c C 33.7023 -24.5212
24 C1b C 34.9115 -23.8230
25 C1b C 36.1206 -24.5212
26 C2c C 37.3299 -23.8230
27 C1b C 38.5391 -24.5212
28 C1b C 39.7483 -23.8230
29 C1b C 40.9575 -24.5212
30 C1a C 33.7023 -25.9171
31 C2b C 37.3299 -22.4270
32 X Cl 38.5598 -21.7166
33 C3b C 42.1892 -23.8096
34 C3b C 43.4017 -23.1096
35 X Br 44.6141 -22.4096
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 2
6 4 6 1 #Down
7 2 7 2
8 3 8 1
9 8 9 2
10 8 10 1
11 10 11 2
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 15 19 2
20 11 20 1
21 20 21 1
22 18 22 2
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 23 30 1
31 26 31 2
32 31 32 1
33 29 33 1
34 33 34 3
35 34 35 1
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