ATOM 39
1 C1y C 26.0965 -11.7806
2 N1x N 27.3040 -11.0834
3 C5x C 28.5116 -11.7806
4 C1y C 29.7192 -11.0834
5 N1x N 30.9267 -11.7806
6 C5x C 32.1342 -11.0834
7 C1y C 33.3418 -11.7806
8 N1a N 34.5493 -11.0834
9 C1b C 24.8889 -11.0834
10 Z R# 21.9138 -11.0834
11 N1b N 23.6813 -11.7806
12 C5x C 26.0965 -13.1748
13 N1x N 27.2933 -13.8658
14 C2y C 27.2935 -15.2663
15 O5x O 24.8782 -13.8783
16 O5x O 28.5116 -13.1749
17 C1b C 29.7192 -9.6891
18 O5x O 32.1342 -9.6892
19 Z R# 28.5029 -8.9868
20 C1x C 33.3418 -13.1749
21 N1x N 32.1343 -13.8721
22 C5x C 32.1343 -15.2665
23 C1y C 30.9368 -15.9579
24 O5x O 33.3519 -15.9695
25 N1x N 29.7511 -15.2732
26 C5x C 28.5661 -15.9574
27 O5x O 28.5843 -17.3581
28 C1y C 30.9367 -17.6367
29 N1x N 29.7485 -18.3228
30 C1y C 29.7486 -19.7172
31 N2x N 30.9562 -20.4143
32 C2x C 32.1443 -19.7281
33 C1x C 32.1442 -18.3338
34 N1a N 28.5580 -20.4050
35 C2b C 26.0998 -15.9766
36 N1b N 24.8830 -15.2951
37 C5a C 23.6732 -16.0152
38 N1a N 22.4517 -15.3313
39 O5a O 23.6920 -17.4324
BOND 40
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1 #Up
8 10 11 1
9 9 11 1
10 1 9 1 #Up
11 1 12 1
12 12 13 1
13 13 14 1
14 12 15 2
15 3 16 2
16 4 17 1 #Up
17 6 18 2
18 17 19 1
19 7 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 22 24 2
24 23 25 1
25 25 26 1
26 26 14 1
27 26 27 2
28 23 28 1
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 2
33 32 33 1
34 28 33 1
35 30 34 1
36 14 35 2
37 35 36 1
38 36 37 1
39 37 38 1
40 37 39 2
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