ATOM 48
1 C8y C 28.1081 -15.9897
2 C8y C 28.6719 -14.7021
3 C8x C 28.6335 -17.2837
4 N5x N 26.7117 -15.8552
5 C8y C 27.6277 -13.7733
6 C1b C 30.0683 -14.6956
7 C8y C 28.0697 -18.5840
8 C8y C 26.4171 -14.4844
9 C1a C 27.6214 -12.3704
10 C1b C 30.7666 -13.4787
11 C8y C 28.6782 -19.8522
12 N4x N 26.6798 -18.7633
13 C8x C 25.1744 -13.9526
14 C6a C 32.1630 -13.4787
15 C8y C 27.6597 -20.8132
16 C1a C 30.0746 -19.8715
17 C8y C 26.4299 -20.1405
18 C8y C 23.8997 -14.4460
19 O6a O 32.8611 -12.2616
20 O6a O 32.8611 -14.6893
21 C1b C 27.7944 -22.2031
22 C8x C 25.1744 -20.6722
23 C8y C 22.6569 -13.7925
24 N4x N 23.6691 -15.8230
25 C1b C 29.0754 -22.7860
26 C8y C 23.8997 -20.1918
27 C8y C 21.6577 -14.7662
28 C1b C 22.6762 -12.3898
29 C8y C 22.2854 -16.0281
30 C6a C 29.2099 -24.1760
31 C8y C 22.6506 -20.8386
32 N5x N 23.6754 -18.8081
33 C1a C 20.2548 -14.7534
34 C1b C 21.4782 -11.6723
35 C8x C 21.6257 -17.3220
36 O6a O 30.4911 -24.7590
37 O6a O 28.0634 -24.9832
38 C8y C 21.6577 -19.8522
39 C1a C 22.7078 -22.2415
40 C8y C 22.2854 -18.6032
41 C6a C 21.5039 -10.2695
42 C1b C 20.2613 -19.8779
43 O6a O 20.2998 -9.5455
44 O6a O 22.7275 -9.5968
45 C1b C 19.5758 -21.1013
46 C6a C 18.1730 -21.0441
47 O6a O 17.4940 -22.3441
48 O6a O 17.4684 -19.9163
BOND 52
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 6 10 1
10 7 11 1
11 7 12 1
12 8 13 2
13 10 14 1
14 11 15 2
15 11 16 1
16 12 17 1
17 13 18 1
18 14 19 1
19 14 20 2
20 15 21 1
21 17 22 2
22 18 23 2
23 18 24 1
24 21 25 1
25 22 26 1
26 23 27 1
27 23 28 1
28 24 29 1
29 25 30 1
30 26 31 1
31 26 32 2
32 27 33 1
33 28 34 1
34 29 35 1
35 30 36 1
36 30 37 2
37 31 38 2
38 31 39 1
39 32 40 1
40 34 41 1
41 38 42 1
42 41 43 1
43 41 44 2
44 42 45 1
45 45 46 1
46 46 47 1
47 46 48 2
48 5 8 1
49 15 17 1
50 27 29 2
51 35 40 2
52 38 40 1
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