ATOM 44
1 C1y C 27.3760 -18.3794
2 C1y C 27.3760 -16.9757
3 C1y C 25.9722 -18.3794
4 C8y C 28.5934 -19.0725
5 C1y C 25.9722 -16.9757
6 C5a C 28.5877 -16.2824
7 C5a C 24.7724 -19.0725
8 C8x C 29.8108 -18.3678
9 C8x C 28.5934 -20.4764
10 C8y C 24.7724 -16.2708
11 N1y N 28.5818 -14.8903
12 O5a O 29.8051 -16.9698
13 N1y N 24.7724 -20.4705
14 O5a O 23.5607 -18.3619
15 C8x C 31.0283 -19.0784
16 C8x C 29.8051 -21.1871
17 C8x C 23.5607 -16.9698
18 C8x C 24.7724 -14.8728
19 C2x C 29.7934 -14.1913
20 C1x C 27.3702 -14.1854
21 C2x C 23.5607 -21.1695
22 C1x C 25.9839 -21.1579
23 C8x C 31.0225 -20.4822
24 C8x C 22.3492 -16.2767
25 C8x C 23.5550 -14.1738
26 C2y C 29.7992 -12.7874
27 C1x C 27.3702 -12.7874
28 C2y C 23.5666 -22.5792
29 C1x C 25.9956 -22.5558
30 C8x C 22.3492 -14.8787
31 C1y C 31.0109 -12.1003
32 C1x C 28.5818 -12.0886
33 C1y C 22.3666 -23.2782
34 C1x C 24.7898 -23.2665
35 C1x C 31.0109 -10.7004
36 N1x N 32.2166 -12.7933
37 C1x C 22.3725 -24.6762
38 N1x N 21.1492 -22.5851
39 C1x C 32.2166 -10.0058
40 C1x C 33.4340 -12.1003
41 C1x C 21.1608 -25.3868
42 C1x C 19.9377 -23.2898
43 C1x C 33.4340 -10.7004
44 C1x C 19.9434 -24.6878
BOND 50
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 4 9 1
9 5 10 1
10 6 11 1
11 6 12 2
12 7 13 1
13 7 14 2
14 8 15 1
15 9 16 2
16 10 17 2
17 10 18 1
18 11 19 1
19 11 20 1
20 13 21 1
21 13 22 1
22 15 23 2
23 17 24 1
24 18 25 2
25 19 26 2
26 20 27 1
27 21 28 2
28 22 29 1
29 24 30 2
30 26 31 1
31 26 32 1
32 28 33 1
33 28 34 1
34 31 35 1
35 31 36 1
36 33 37 1
37 33 38 1
38 35 39 1
39 36 40 1
40 37 41 1
41 38 42 1
42 39 43 1
43 41 44 1
44 3 5 1
45 16 23 1
46 25 30 1
47 27 32 1
48 29 34 1
49 40 43 1
50 42 44 1
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