ATOM 37
1 C8x C 11.4100 -11.6200
2 C8x C 11.4100 -13.0200
3 C8x C 12.6000 -13.7200
4 N5x N 13.8600 -13.0200
5 C8y C 13.8600 -11.6200
6 C8x C 12.6000 -10.9200
7 N1c N 15.0500 -10.9200
8 C1b C 16.3100 -11.6200
9 C1b C 17.5000 -10.9200
10 O2a O 18.6900 -11.6200
11 C8y C 19.9500 -10.9200
12 C1a C 15.0500 -9.5200
13 C8x C 21.1507 -11.6399
14 C8x C 22.3745 -10.9600
15 C8y C 22.3976 -9.5602
16 C8x C 21.1969 -8.8403
17 C8x C 19.9731 -9.5202
18 C1b C 23.6124 -8.8900
19 C1c C 24.8249 -9.5900
20 C6a C 26.0373 -8.8900
21 O6a O 27.2497 -9.5900
22 N1b N 24.8249 -10.9898
23 O6a O 26.0373 -7.4900
24 C8y C 26.0561 -11.7008
25 C8y C 26.0558 -13.0899
26 C8x C 27.2681 -13.7902
27 C8x C 28.4807 -13.0905
28 C8x C 28.4810 -11.7014
29 C8x C 27.2687 -11.0011
30 C5a C 24.8314 -13.7966
31 C8y C 24.8312 -15.1899
32 C8x C 23.6328 -15.8816
33 C8x C 23.6327 -17.2816
34 C8x C 24.8450 -17.9817
35 C8x C 26.0434 -17.2900
36 C8x C 26.0435 -15.8900
37 O5a O 23.6303 -13.1027
BOND 40
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 10 11 1
12 7 12 1
13 11 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 11 17 1
19 15 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 19 22 1 #Up
24 20 23 2
25 22 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 27 28 1
30 28 29 2
31 24 29 1
32 25 30 1
33 30 31 1
34 31 32 2
35 32 33 1
36 33 34 2
37 34 35 1
38 35 36 2
39 31 36 1
40 30 37 2
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