ATOM 57
1 C1y C 30.2939 -18.8516
2 C7x C 30.2939 -20.2312
3 O7x O 29.1232 -20.7372
4 C1y C 29.0985 -22.1096
5 C5x C 27.8509 -22.7441
6 N1y N 26.7390 -21.8636
7 C1y C 25.6105 -22.6934
8 C7x C 24.3759 -22.0342
9 O7x O 24.5011 -20.6533
10 C1y C 23.1965 -20.1418
11 C5x C 23.1951 -18.7546
12 N1y N 24.3596 -18.2592
13 C1y C 24.3835 -16.8871
14 C7x C 25.6190 -16.2567
15 O7x O 26.7235 -17.1314
16 C1y C 27.8629 -16.2797
17 C5x C 28.9645 -16.9531
18 N1y N 28.9793 -18.3267
19 O6a O 25.6083 -14.8513
20 C1c C 27.8315 -14.8816
21 C1a C 28.9225 -14.0910
22 C1a C 26.4990 -14.2668
23 O5x O 30.3422 -16.2966
24 C1a C 27.7840 -19.0641
25 C1b C 31.4476 -18.0606
26 C8y C 32.7103 -18.6677
27 C8x C 32.6704 -20.0598
28 C8x C 34.0733 -20.6740
29 C8x C 35.1639 -19.8829
30 C8x C 35.1318 -18.4849
31 C8x C 33.8690 -17.8778
32 O6a O 31.4430 -21.0288
33 C1c C 30.3250 -22.7867
34 C1a C 30.2782 -24.1884
35 C1a C 31.5280 -22.0694
36 O5x O 27.8515 -24.1391
37 C1a C 26.7642 -20.6021
38 C1b C 25.6410 -24.0915
39 C8y C 24.5566 -24.8812
40 C8x C 23.3027 -24.2637
41 C8x C 22.1412 -25.0533
42 C8x C 22.1016 -26.3815
43 C8x C 23.5037 -27.0601
44 C8x C 24.5953 -26.2775
45 O6a O 23.1475 -22.6949
46 C1c C 22.0394 -20.9380
47 C1a C 20.7740 -20.3367
48 C1a C 22.0778 -22.3357
49 O5x O 22.0398 -17.9632
50 C1a C 25.5473 -19.0089
51 C1b C 23.1634 -16.2112
52 C8y C 23.1387 -14.8095
53 C8x C 24.3353 -14.0870
54 C8x C 24.3806 -12.6854
55 C8x C 23.0836 -12.0095
56 C8x C 21.8881 -12.7280
57 C8x C 21.9128 -14.1297
BOND 60
1 13 14 1
2 26 27 2
3 27 28 1
4 28 29 2
5 29 30 1
6 30 31 2
7 31 26 1
8 14 15 1
9 2 32 2
10 11 12 1
11 4 33 1
12 16 17 1
13 33 34 1
14 17 18 1
15 33 35 1
16 15 16 1
17 5 36 2
18 1 18 1
19 6 37 1
20 7 38 1
21 14 19 2
22 38 39 1
23 1 2 1
24 16 20 1
25 2 3 1
26 20 21 1
27 4 5 1
28 39 40 2
29 40 41 1
30 41 42 2
31 42 43 1
32 43 44 2
33 44 39 1
34 20 22 1
35 8 45 2
36 5 6 1
37 10 46 1
38 17 23 2
39 46 47 1
40 6 7 1
41 46 48 1
42 18 24 1
43 11 49 2
44 3 4 1
45 12 50 1
46 1 25 1
47 13 51 1
48 8 9 1
49 51 52 1
50 25 26 1
51 9 10 1
52 10 11 1
53 7 8 1
54 12 13 1
55 52 53 2
56 53 54 1
57 54 55 2
58 55 56 1
59 56 57 2
60 57 52 1
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