ATOM 36
1 C1y C 22.6253 -22.2744
2 C8y C 22.0953 -23.5617
3 C1x C 24.0231 -22.2744
4 N1y N 21.6293 -21.2843
5 C8x C 20.7091 -23.7480
6 C8x C 22.9456 -24.6741
7 C5x C 25.0191 -21.2843
8 C1x C 21.6293 -19.8864
9 C1a C 20.2256 -21.2843
10 C8x C 20.1731 -25.0412
11 C8x C 22.4156 -25.9730
12 N1y N 25.0191 -19.8864
13 O5x O 26.2248 -21.9891
14 C1x C 22.6253 -18.8963
15 C8x C 21.0293 -26.1536
16 C1x C 24.0231 -18.8963
17 C1b C 26.2305 -19.1875
18 C1b C 27.4421 -19.8807
19 C1b C 28.6478 -19.1817
20 C1b C 29.8535 -19.8690
21 N1y N 31.0649 -19.1758
22 C5x C 31.0649 -17.7722
23 C1x C 32.0609 -20.1545
24 C1x C 32.0609 -16.7820
25 O5x O 29.8475 -17.0675
26 C1x C 33.4586 -20.1545
27 C1y C 33.4586 -16.7820
28 C1x C 34.4547 -19.1758
29 C8y C 33.9887 -15.4890
30 N1y N 34.4547 -17.7722
31 C8x C 35.3749 -15.3025
32 C8x C 33.1384 -14.3766
33 C1a C 35.6604 -17.0616
34 C8x C 35.9166 -14.0096
35 C8x C 33.6684 -13.0777
36 C8x C 35.0604 -12.8971
BOND 39
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 1
9 5 10 1
10 6 11 2
11 7 12 1
12 7 13 2
13 8 14 1
14 10 15 2
15 12 16 1
16 12 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 21 23 1
23 22 24 1
24 22 25 2
25 23 26 1
26 24 27 1
27 26 28 1
28 27 29 1
29 27 30 1
30 29 31 2
31 29 32 1
32 30 33 1
33 31 34 1
34 32 35 2
35 34 36 2
36 11 15 1
37 14 16 1
38 28 30 1
39 35 36 1
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