ATOM 26
1 C8x C 14.4163 -15.9590
2 N5x N 14.8277 -17.2743
3 C8y C 16.2057 -17.2895
4 N5x N 16.6461 -15.9836
5 N4y N 15.5402 -15.1612
6 S4a S 15.5553 -13.7715
7 N1c N 15.5197 -12.3937
8 O3c O 16.9132 -13.7612
9 O3c O 14.1568 -13.7818
10 C1a C 16.6800 -11.6831
11 C1a C 14.2932 -11.7272
12 S4a S 17.5110 -17.9582
13 O3c O 16.6151 -19.2206
14 O3c O 18.2690 -19.3585
15 N4y N 18.9112 -17.2691
16 C8y C 20.1910 -17.8390
17 C8y C 21.1284 -16.7982
18 C8y C 20.4281 -15.5850
19 C8y C 19.0578 -15.8761
20 C8x C 20.6166 -19.1498
21 C8y C 21.9647 -19.4365
22 C8x C 22.9022 -18.3957
23 C8x C 22.4765 -17.0849
24 C1a C 18.0500 -14.9684
25 X Br 20.9818 -14.3429
26 X F 22.3817 -20.7200
BOND 28
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 1
6 5 6 1
7 6 7 1
8 6 8 2
9 6 9 2
10 7 10 1
11 7 11 1
12 3 12 1
13 12 13 2
14 12 14 2
15 12 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 2
20 15 19 1
21 16 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 17 23 2
26 19 24 1
27 18 25 1
28 21 26 1
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