ATOM 40
1 N1y N 30.3760 -21.0115
2 C2y C 30.9409 -19.7304
3 C1y C 31.1914 -22.1470
4 C5x C 28.9844 -20.8659
5 C8y C 32.3327 -19.5965
6 C2x C 29.8985 -18.7928
7 C1x C 32.5772 -22.0073
8 C6a C 30.6149 -23.4164
9 C2y C 28.6931 -19.4976
10 O5x O 27.9828 -21.8558
11 C8y C 33.1537 -20.7320
12 N4x N 33.1480 -18.4610
13 O6a O 31.4243 -24.5461
14 O6a O 29.2579 -23.7717
15 C2y C 27.2897 -19.4976
16 C8y C 34.4873 -20.2894
17 C8y C 34.4814 -18.8918
18 C5x C 27.0043 -18.1290
19 C2x C 26.0843 -20.1904
20 C8x C 35.6927 -20.9941
21 C8x C 35.6927 -18.1930
22 N1y N 25.6127 -17.9776
23 O5x O 27.9885 -17.1274
24 C2y C 25.0420 -19.3986
25 C8x C 36.9039 -20.2894
26 C8x C 36.9039 -18.8918
27 C1y C 24.8673 -16.9878
28 C8y C 23.6560 -19.3926
29 C1x C 23.4115 -16.9875
30 C6a C 25.3681 -15.5726
31 C8y C 22.8350 -18.2629
32 N4x N 22.8350 -20.5339
33 O6a O 26.7541 -15.4270
34 O6a O 24.3665 -14.5710
35 C8y C 21.5015 -18.6938
36 C8y C 21.5015 -20.0972
37 C8x C 20.2903 -17.9950
38 C8x C 20.2903 -20.7959
39 C8x C 19.0848 -18.6938
40 C8x C 19.0848 -20.0972
BOND 47
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1 #Up
8 4 9 1
9 4 10 2
10 5 11 2
11 5 12 1
12 8 13 1
13 8 14 2
14 9 15 2
15 11 16 1
16 12 17 1
17 15 18 1
18 15 19 1
19 16 20 1
20 17 21 1
21 18 22 1
22 18 23 2
23 19 24 2
24 20 25 2
25 21 26 2
26 22 27 1
27 24 28 1
28 27 29 1
29 27 30 1 #Up
30 28 31 2
31 28 32 1
32 30 33 1
33 30 34 2
34 31 35 1
35 32 36 1
36 35 37 1
37 36 38 1
38 37 39 2
39 38 40 2
40 6 9 1
41 7 11 1
42 16 17 2
43 22 24 1
44 25 26 1
45 29 31 1
46 35 36 2
47 39 40 1
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