ATOM 86
1 C8y C 23.2224 -15.0492
2 C8y C 22.0175 -14.3658
3 C8y C 24.4270 -14.3479
4 C8y C 23.2313 -16.4517
5 C8y C 22.0784 -12.9633
6 C8x C 20.8127 -15.0670
7 N1b N 25.6407 -15.0492
8 C8x C 24.4270 -12.9542
9 C8x C 22.0264 -17.1619
10 S4a S 24.4361 -17.1528
11 C8x C 23.2132 -12.2528
12 S4a S 20.8647 -12.2528
13 C8y C 20.8218 -16.4606
14 C5a C 26.8636 -14.3387
15 O1d O 23.7348 -18.3577
16 O1d O 25.1284 -15.9391
17 O1d O 25.6407 -17.8633
18 O1d O 19.6510 -11.5606
19 S4a S 19.6078 -17.1708
20 C8y C 28.0414 -15.0221
21 O5a O 26.8547 -12.9453
22 O1d O 18.8887 -15.9571
23 O1d O 18.3941 -17.8722
24 O1d O 20.2912 -18.3756
25 C8x C 28.0593 -16.3886
26 C8x C 29.2190 -14.3298
27 C8y C 29.2190 -17.0540
28 C8x C 30.4060 -15.0132
29 N1b N 29.1582 -18.4208
30 C8y C 30.4060 -16.3797
31 C5a C 27.9893 -19.1130
32 C1a C 31.5928 -17.0540
33 C8y C 27.9893 -20.4796
34 O5a O 26.8024 -18.4297
35 C8x C 29.1762 -21.1449
36 C8x C 26.8116 -21.1449
37 C8y C 29.1762 -22.5206
38 C8x C 26.8024 -22.5206
39 N1b N 30.5838 -23.2757
40 C8x C 27.9893 -23.2217
41 C5a C 32.3251 -22.6348
42 N1b N 33.9855 -23.1654
43 O5a O 32.3251 -21.2683
44 C8y C 35.5653 -22.5000
45 C8x C 35.5653 -21.1424
46 C8x C 36.7701 -23.1835
47 C8y C 36.7521 -20.4590
48 C8x C 37.9299 -22.5000
49 C5a C 36.7429 -19.0925
50 C8x C 37.9299 -21.1424
51 N1b N 35.5384 -18.4003
52 O5a O 37.9119 -18.4003
53 C8y C 35.5384 -17.0426
54 C8x C 36.7342 -16.3772
55 C8y C 34.3515 -16.3952
56 C8y C 36.7250 -15.0107
57 C8x C 34.3426 -15.0195
58 C1a C 33.1826 -17.0785
59 C5a C 37.8938 -14.3093
60 C8x C 35.5204 -14.3273
61 N1b N 39.1076 -15.0015
62 O5a O 37.8759 -12.9156
63 C8y C 40.3124 -14.2824
64 C8y C 41.5082 -15.0015
65 C8x C 40.3124 -12.8888
66 C8y C 42.7219 -14.3004
67 C8y C 41.5082 -16.3952
68 C8x C 41.5261 -12.2054
69 C8y C 42.7311 -12.8977
70 C8x C 43.9268 -15.0107
71 C8x C 42.7131 -17.0966
72 S4a S 40.3036 -17.0874
73 S4a S 43.9448 -12.2054
74 C8y C 43.9886 -16.4043
75 O1d O 39.6202 -15.8737
76 O1d O 39.0897 -17.7888
77 O1d O 41.0228 -18.2923
78 O1d O 45.1765 -11.4951
79 S4a S 45.1405 -17.1054
80 O1d O 44.4214 -18.3103
81 O1d O 45.8239 -15.8917
82 O1d O 46.3454 -17.8068
83 O1d O 21.5710 -11.0304
84 O1d O 20.0867 -13.4781
85 O1d O 44.6657 -13.4621
86 O1d O 43.2587 -11.0095
BOND 93
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 4 10 1
10 5 11 2
11 5 12 1
12 6 13 2
13 7 14 1
14 10 15 1
15 10 16 2
16 10 17 2
17 12 18 1
18 13 19 1
19 14 20 1
20 14 21 2
21 19 22 2
22 19 23 2
23 19 24 1
24 20 25 2
25 20 26 1
26 25 27 1
27 26 28 2
28 27 29 1
29 27 30 2
30 29 31 1
31 30 32 1
32 31 33 1
33 31 34 2
34 33 35 2
35 33 36 1
36 35 37 1
37 36 38 2
38 37 39 1
39 37 40 2
40 39 41 1
41 41 42 1
42 41 43 2
43 42 44 1
44 44 45 1
45 44 46 2
46 45 47 2
47 46 48 1
48 47 49 1
49 47 50 1
50 49 51 1
51 49 52 2
52 51 53 1
53 53 54 2
54 53 55 1
55 54 56 1
56 55 57 2
57 55 58 1
58 56 59 1
59 56 60 2
60 59 61 1
61 59 62 2
62 61 63 1
63 63 64 1
64 63 65 2
65 64 66 2
66 64 67 1
67 65 68 1
68 66 69 1
69 66 70 1
70 67 71 2
71 67 72 1
72 69 73 1
73 70 74 2
74 72 75 2
75 72 76 2
76 72 77 1
77 73 78 1
78 74 79 1
79 79 80 1
80 79 81 2
81 79 82 2
82 8 11 1
83 9 13 1
84 28 30 1
85 38 40 1
86 48 50 2
87 57 60 1
88 68 69 2
89 71 74 1
90 12 83 2
91 12 84 2
92 73 85 2
93 73 86 2
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