ATOM 44
1 C8y C 20.6422 -18.8345
2 C8y C 21.8280 -19.6715
3 C5a C 19.4565 -19.5320
4 N4x N 21.0607 -17.5093
5 C8y C 22.9439 -18.8345
6 C2b C 21.7582 -21.0665
7 C8y C 18.2708 -18.8345
8 C8y C 22.5254 -17.4395
9 C1a C 24.2692 -19.2530
10 C8y C 17.1548 -19.6715
11 N4x N 17.9220 -17.5093
12 C2b C 23.2229 -16.2538
13 C8y C 15.9690 -18.8345
14 C1a C 17.1548 -21.0665
15 C8y C 16.4573 -17.5093
16 C2y C 22.4557 -15.0681
17 C1b C 14.6438 -19.2530
18 C2b C 15.6900 -16.2538
19 C2y C 22.9439 -13.6731
20 N1x N 21.0607 -15.0681
21 C2y C 16.4573 -15.0681
22 C2y C 21.7582 -12.9058
23 C2b C 24.1994 -13.2546
24 C5x C 20.6422 -13.6731
25 C2y C 16.0388 -13.7428
26 N1x N 17.8523 -15.0681
27 C1a C 21.7582 -11.5109
28 C2a C 25.2457 -14.2311
29 O5x O 19.8750 -12.6966
30 C2y C 17.1548 -12.9058
31 C1b C 14.7135 -13.2546
32 C5x C 18.2708 -13.7428
33 C1a C 17.1548 -11.5109
34 O5x O 19.0380 -12.6268
35 C2a C 23.0137 -21.6942
36 O5a O 19.4565 -20.9270
37 C1b C 14.4767 -11.8798
38 C6a C 13.1858 -11.4038
39 O6a O 12.1255 -12.2857
40 O6a O 12.9440 -9.9963
41 C1b C 14.3425 -20.6150
42 C6a C 13.0236 -21.0319
43 O6a O 12.0202 -20.1141
44 O6a O 12.7158 -22.4234
BOND 47
1 2 5 1
2 2 6 1
3 3 7 1
4 4 8 1
5 5 9 1
6 7 10 2
7 7 11 1
8 8 12 1
9 10 13 1
10 10 14 1
11 11 15 1
12 12 16 2
13 13 17 1
14 15 18 1
15 16 19 1
16 16 20 1
17 18 21 2
18 19 22 2
19 19 23 1
20 20 24 1
21 21 25 1
22 21 26 1
23 22 27 1
24 23 28 2
25 24 29 2
26 25 30 2
27 25 31 1
28 26 32 1
29 30 33 1
30 32 34 2
31 5 8 2
32 13 15 2
33 22 24 1
34 30 32 1
35 6 35 2
36 1 2 2
37 1 3 1
38 1 4 1
39 3 36 2
40 31 37 1
41 37 38 1
42 38 39 2
43 38 40 1
44 17 41 1
45 41 42 1
46 42 43 1
47 42 44 2
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