ATOM 29
1 C8y C 9.1700 -18.4800
2 C8x C 9.1700 -19.8800
3 C8y C 10.3824 -20.5800
4 N5x N 11.5949 -19.8800
5 C8y C 11.5949 -18.4800
6 N5x N 10.3824 -17.7800
7 N1b N 12.8324 -17.7800
8 C5a C 14.0449 -18.4800
9 N1b N 15.2573 -17.7800
10 S4a S 16.4697 -18.4800
11 O2a O 7.9576 -17.7800
12 C1a C 6.7621 -18.4704
13 O2a O 10.3824 -21.9798
14 C1a C 9.1532 -22.6897
15 O5a O 14.0449 -19.8798
16 C8y C 17.6673 -17.7885
17 O3c O 15.4798 -19.5399
18 O3c O 17.5297 -19.5399
19 N4y N 18.9203 -18.3463
20 N5x N 19.8381 -17.3269
21 C8x C 19.1523 -16.1391
22 C8y C 17.8106 -16.4243
23 C8y C 16.7665 -15.4841
24 N5x N 16.9144 -14.0747
25 N4y N 15.6896 -13.3585
26 N5x N 14.6715 -14.5519
27 N5x N 15.3804 -15.7791
28 C1a C 19.2091 -19.7054
29 C1a C 15.3301 -11.9983
BOND 31
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 1 11 1
12 11 12 1
13 3 13 1
14 13 14 1
15 8 15 2
16 10 16 1
17 10 17 2
18 10 18 2
19 16 19 1
20 19 20 1
21 20 21 2
22 21 22 1
23 16 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 1
28 26 27 2
29 23 27 1
30 19 28 1
31 25 29 1
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