ATOM 35
1 N4y N 9.5200 -15.7500
2 C8y C 9.5200 -17.1500
3 N4y N 10.7324 -17.8500
4 C8y C 11.9449 -17.1500
5 C8y C 11.9449 -15.7500
6 C8y C 10.7324 -15.0500
7 N5x N 13.2764 -17.5826
8 C8y C 14.0993 -16.4500
9 N4x N 13.2764 -15.3174
10 O5x O 10.7324 -13.6502
11 O5x O 8.3076 -17.8500
12 C1a C 8.3076 -15.0500
13 C1a C 10.7324 -19.2498
14 X Br 15.4700 -16.4500
15 C8x C 20.8600 -15.4700
16 C8y C 20.8600 -16.8700
17 C8x C 22.0724 -17.5700
18 C8x C 23.2849 -16.8700
19 C8y C 23.2849 -15.4700
20 C8x C 22.0724 -14.7700
21 O2a O 19.6476 -17.5700
22 C1a C 18.4521 -16.8796
23 C1b C 24.5160 -14.7590
24 N1c N 25.7212 -15.4547
25 C1b C 26.9035 -14.7719
26 C1b C 28.0975 -15.4612
27 C8y C 25.7216 -16.8696
28 N5x N 24.4858 -17.5840
29 C8x C 24.4865 -18.9840
30 C8x C 25.6993 -19.6834
31 C8x C 26.9352 -18.9690
32 C8x C 26.9344 -17.5690
33 N1c N 29.2854 -14.7752
34 C1a C 30.4765 -15.4629
35 C1a C 29.2855 -13.3702
BOND 37
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 6 10 2
12 2 11 2
13 1 12 1
14 3 13 1
15 8 14 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 16 21 1
23 21 22 1
24 19 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 24 27 1
29 27 28 2
30 28 29 1
31 29 30 2
32 30 31 1
33 31 32 2
34 27 32 1
35 26 33 1
36 33 34 1
37 33 35 1
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