ATOM 32
1 C8y C 22.6534 -14.6534
2 N1y N 23.8766 -15.3206
3 C8y C 21.4654 -15.3792
4 N5x N 22.6943 -13.2724
5 C1x C 23.8358 -16.7135
6 C1x C 25.0586 -14.6006
7 C8x C 20.1780 -14.7178
8 N1b N 21.5004 -16.7720
9 C8x C 21.4011 -12.5991
10 C1x C 25.1172 -17.3865
11 C1x C 26.3460 -15.2621
12 C8x C 20.1431 -13.3250
13 C1c C 20.3765 -17.4976
14 N1y N 26.3111 -16.6550
15 C1a C 20.3417 -18.8905
16 C1a C 19.1533 -16.8304
17 C5a C 27.5283 -17.3279
18 C8y C 28.7163 -16.6023
19 O5a O 27.4934 -18.7207
20 C8x C 28.6682 -15.2154
21 N4x N 30.0379 -17.0690
22 C8y C 30.0714 -14.8114
23 C8y C 30.9099 -15.9269
24 C8x C 32.3120 -15.9269
25 C8x C 33.0204 -14.7000
26 C8y C 32.3281 -13.5012
27 C8x C 30.9159 -13.5012
28 N1b N 33.0144 -12.3128
29 S4a S 34.4207 -12.3128
30 C1a C 35.8229 -12.3128
31 O3c O 34.4207 -10.9357
32 O3c O 34.4207 -13.7400
BOND 35
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 10 14 1
14 13 15 1
15 13 16 1
16 14 17 1
17 17 18 1
18 17 19 2
19 18 20 2
20 18 21 1
21 20 22 1
22 21 23 1
23 9 12 2
24 11 14 1
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 22 2
31 26 28 1
32 28 29 1
33 29 30 1
34 29 31 2
35 29 32 2
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