ATOM 89
1 C8y C 40.2314 -22.7346
2 C8y C 41.6237 -22.7346
3 N5x N 42.3199 -21.5511
4 C8y C 41.6237 -20.2979
5 C8x C 40.2314 -20.2979
6 C8x C 39.5352 -21.5511
7 C8y C 39.0479 -23.4308
8 S2x S 37.7947 -22.8738
9 C8x C 36.8201 -23.9181
10 C8y C 37.5162 -25.1016
11 N5x N 38.9086 -24.8231
12 C8y C 42.8073 -23.4308
13 N5x N 42.9465 -24.8231
14 C8y C 44.3389 -25.1016
15 O2x O 45.0351 -23.9181
16 C8y C 44.1300 -22.8738
17 C2c C 44.9077 -26.3725
18 C2a C 46.2791 -26.5138
19 N1b N 44.0959 -27.4944
20 C5a C 44.6605 -28.7560
21 O5a O 46.0677 -28.9018
22 C2c C 43.8694 -29.8488
23 C2a C 42.4654 -29.7039
24 C5a C 36.9475 -26.3725
25 O5a O 35.5761 -26.5138
26 N1b N 37.7592 -27.4944
27 C1c C 37.1946 -28.7560
28 C5a C 35.7874 -28.9018
29 C1c C 37.9857 -29.8488
30 O1a O 39.3897 -29.7039
31 C1a C 37.4251 -31.1023
32 O5a O 34.9803 -27.7879
33 N1b N 35.2067 -30.2014
34 C2c C 33.8356 -30.3434
35 C8y C 33.2734 -31.6008
36 O2x O 31.9124 -31.8878
37 C8y C 31.7647 -33.2707
38 C8y C 33.0344 -33.8385
39 N5x N 33.9668 -32.8064
40 N1b N 44.4300 -31.1023
41 C5a C 43.6127 -32.2314
42 O5a O 42.2549 -32.0904
43 C8y C 44.1755 -33.4892
44 N5x N 43.5020 -34.6609
45 C8y C 44.4082 -35.6635
46 O2x O 45.6418 -35.1114
47 C8y C 45.4979 -33.7676
48 C2c C 44.1173 -37.0452
49 N1b N 42.7967 -37.4771
50 C2b C 45.1763 -37.9947
51 C5a C 41.7742 -36.5602
52 C8y C 40.4324 -36.9988
53 O5a O 42.0548 -35.2273
54 N5x N 39.3133 -36.1887
55 C8y C 38.1970 -37.0027
56 S2x S 38.6263 -38.3159
57 C8x C 40.0078 -38.3135
58 C1c C 36.8871 -36.5797
59 O2a O 35.8509 -37.5159
60 N1b N 35.8314 -35.2274
61 C5a C 34.0927 -35.2183
62 O5a O 33.0772 -36.1357
63 C1a C 44.4462 -21.5179
64 C1a C 30.5483 -33.9706
65 C1a C 34.5146 -37.0844
66 C1a C 46.5610 -32.8070
67 C5a C 42.3299 -19.0979
68 N1b N 43.7123 -19.1153
69 C2c C 44.4093 -17.9100
70 C5a C 45.8017 -17.9109
71 N1b N 46.4986 -16.7055
72 C2c C 47.8910 -16.7064
73 C5a C 48.5880 -15.5011
74 N1b N 49.9804 -15.5020
75 C2c C 50.6774 -14.2966
76 C5a C 52.0697 -14.2975
77 N1a N 52.7667 -13.0922
78 O5a O 41.6509 -17.8933
79 C2a C 43.7227 -16.7191
80 O5a O 46.5056 -19.1317
81 C2a C 48.5738 -17.8903
82 O5a O 47.8890 -14.2886
83 C2a C 49.9872 -13.0996
84 O5a O 52.7701 -15.5122
85 C1a C 44.8843 -39.3845
86 C2b C 32.6232 -29.6434
87 C1c C 32.6234 -28.2100
88 O1a O 33.8334 -27.5117
89 C1a C 31.4085 -27.5083
BOND 95
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 1 1
8 7 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 7 11 2
13 2 12 1
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 1
18 12 16 2
19 14 17 1
20 17 18 2
21 17 19 1
22 19 20 1
23 20 21 2
24 20 22 1
25 22 23 2
26 10 24 1
27 24 25 2
28 24 26 1
29 26 27 1
30 27 28 1
31 27 29 1
32 29 30 1
33 29 31 1
34 28 32 2
35 28 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 37 38 2
41 38 39 1
42 35 39 2
43 22 40 1
44 40 41 1
45 41 42 2
46 41 43 1
47 43 44 1
48 44 45 2
49 45 46 1
50 46 47 1
51 43 47 2
52 45 48 1
53 48 49 1
54 48 50 2
55 49 51 1
56 51 52 1
57 51 53 2
58 52 54 1
59 54 55 2
60 55 56 1
61 56 57 1
62 52 57 2
63 55 58 1
64 58 59 1
65 58 60 1
66 60 61 1
67 61 62 2
68 38 61 1
69 16 63 1
70 37 64 1
71 59 65 1
72 47 66 1
73 4 67 1
74 67 68 1
75 68 69 1
76 69 70 1
77 70 71 1
78 71 72 1
79 72 73 1
80 73 74 1
81 74 75 1
82 75 76 1
83 76 77 1
84 67 78 2
85 69 79 2
86 70 80 2
87 72 81 2
88 73 82 2
89 75 83 2
90 76 84 2
91 50 85 1
92 34 86 2
93 86 87 1
94 87 88 1
95 87 89 1
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