ATOM 45
1 C2y C 16.6604 -17.8419
2 C2y C 15.4158 -18.4642
3 N2x N 16.3838 -16.5281
4 N4x N 16.3147 -13.5549
5 C2y C 14.4478 -17.5653
6 C2y C 15.0701 -16.3207
7 C8y C 16.5222 -12.2412
8 C8y C 15.0010 -13.7624
9 C5a C 14.5861 -15.1452
10 C8y C 15.2775 -11.6880
11 C8y C 14.3787 -12.5869
12 C2b C 15.2775 -10.3052
13 C1a C 12.9266 -12.5869
14 C1b C 15.4158 -19.8471
15 C1b C 14.1713 -20.4694
16 C6a C 14.1713 -21.7831
17 O6a O 12.9266 -22.4054
18 O6a O 15.2775 -22.5437
19 C1a C 12.9958 -17.6345
20 C2a C 14.0329 -9.5445
21 C8y C 20.2564 -17.8419
22 C2b C 18.9426 -18.3259
23 N4x N 20.3256 -16.4590
24 C8y C 21.5701 -18.3259
25 C8y C 21.6393 -16.1825
26 C8y C 22.3308 -17.2887
27 C2b C 22.1234 -14.9378
28 C2y C 21.6393 -13.6932
29 C2y C 22.1924 -12.4486
30 N1x N 20.2564 -13.4858
31 C2y C 21.2936 -11.5497
32 C5x C 20.0490 -12.1720
33 C1a C 21.2245 -10.0977
34 C2b C 23.6445 -12.2412
35 C1b C 21.5011 -19.8471
36 C1b C 22.7456 -20.5386
37 C6a C 22.6765 -21.9906
38 O6a O 23.9902 -22.8203
39 O6a O 21.4319 -22.6820
40 C1a C 23.7136 -17.3579
41 C2a C 24.3360 -10.9965
42 C4a C 17.7203 -11.5494
43 O4a O 17.7203 -10.1659
44 O5x O 18.8508 -11.4803
45 O5a O 13.2026 -15.1452
BOND 48
1 4 8 1
2 6 9 1
3 7 10 2
4 8 11 2
5 10 12 1
6 11 13 1
7 5 6 1
8 8 9 1
9 10 11 1
10 2 14 1
11 1 2 1
12 14 15 1
13 1 3 1
14 15 16 1
15 16 17 1
16 2 5 2
17 16 18 2
18 3 6 2
19 5 19 1
20 4 7 1
21 12 20 2
22 28 29 1
23 28 30 1
24 29 31 2
25 30 32 1
26 31 33 1
27 25 26 2
28 31 32 1
29 29 34 1
30 21 22 1
31 24 35 1
32 21 23 1
33 35 36 1
34 21 24 2
35 36 37 1
36 37 38 2
37 23 25 1
38 37 39 1
39 24 26 1
40 25 27 1
41 27 28 2
42 26 40 1
43 34 41 2
44 1 22 2
45 7 42 1
46 42 43 2
47 32 44 2
48 9 45 2
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