ATOM 49
1 C1y C 26.1543 -20.0149
2 C5x C 27.3273 -19.3364
3 N1x N 28.5002 -20.0078
4 C1y C 29.6732 -19.3294
5 C8x C 25.6469 -15.0650
6 C8y C 25.6469 -16.4217
7 C8x C 26.8260 -17.1000
8 C8x C 27.9982 -16.4217
9 C8y C 27.9982 -15.0650
10 C8x C 26.8260 -14.3866
11 C5x C 29.1750 -14.3875
12 O2x O 24.4708 -17.1007
13 C1z C 24.4716 -19.0438
14 C1x C 30.8597 -15.3636
15 N1x N 30.8569 -17.3039
16 C5x C 29.6702 -17.9656
17 O5x O 27.3243 -17.9727
18 O5x O 28.4980 -17.2801
19 N1b N 26.1553 -21.3714
20 C5a C 27.3322 -22.0489
21 C1c C 27.3334 -23.4056
22 O5a O 28.5080 -21.3696
23 N1b N 26.1575 -24.0848
24 C1c C 28.5102 -24.0830
25 C1a C 28.5114 -25.4397
26 C5a C 24.9807 -23.4075
27 C1a C 29.6859 -23.4038
28 C8y C 32.0188 -19.3192
29 C1b C 30.7769 -19.8726
30 N4x N 33.6416 -17.8313
31 C8x C 32.2917 -17.9759
32 C8y C 34.1951 -19.0732
33 C8y C 33.1908 -19.9783
34 C8x C 33.4723 -21.3029
35 C8x C 34.7581 -21.7225
36 C8x C 35.7694 -20.8174
37 C8x C 35.4880 -19.4927
38 C1a C 23.1100 -19.0503
39 C1a C 23.7884 -20.2162
40 O5x O 29.1765 -13.0308
41 C1c C 23.8026 -24.0814
42 C1c C 22.6296 -23.4031
43 C1b C 21.4565 -24.0814
44 O5a O 24.9826 -22.3308
45 N1c N 23.7994 -25.4381
46 C1a C 22.6214 -26.1207
47 C1a C 24.9740 -26.2663
48 C1a C 22.6296 -22.0464
49 C1a C 20.2794 -23.4044
BOND 52
1 1 2 1
2 21 24 1
3 6 12 1
4 24 25 1
5 3 4 1
6 23 26 1
7 12 13 1
8 24 27 1
9 4 29 1 #Down
10 11 14 1
11 29 28 1
12 13 1 1
13 28 33 1
14 32 30 1
15 30 31 1
16 31 28 2
17 14 15 1
18 5 6 1
19 4 16 1
20 16 15 1
21 6 7 2
22 2 17 2
23 32 33 2
24 33 34 1
25 34 35 2
26 35 36 1
27 36 37 2
28 37 32 1
29 7 8 1
30 13 38 1
31 16 18 2
32 13 39 1
33 8 9 2
34 11 40 2
35 1 19 1 #Up
36 26 41 1
37 9 10 1
38 41 42 1
39 19 20 1
40 42 43 1
41 10 5 2
42 26 44 2
43 20 21 1
44 41 45 1 #Up
45 2 3 1
46 45 46 1
47 20 22 2
48 45 47 1
49 9 11 1
50 42 48 1 #Down
51 21 23 1 #Down
52 43 49 1
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