ATOM 87
1 C8y C 23.6939 -29.2334
2 C1b C 23.6868 -30.6419
3 O2a O 22.4616 -31.3401
4 C1a C 22.4545 -32.7476
5 C5a C 38.8878 -7.6773
6 N1a N 40.1020 -8.3824
7 C8y C 28.9667 -13.7541
8 C8y C 30.1889 -13.0507
9 S2x S 31.4770 -13.6312
10 C8x C 32.4177 -12.5816
11 C8y C 31.7143 -11.3595
12 N5x N 30.3361 -11.6553
13 C2y C 32.2893 -10.0790
14 N2x N 33.6703 -9.7853
15 C1y C 33.8170 -8.3846
16 C1x C 32.5364 -7.8096
17 O2x O 31.5887 -8.8591
18 C5a C 35.0390 -7.6810
19 C1y C 37.6658 -8.3807
20 N1y N 36.2552 -8.3944
21 C1x C 35.8298 -9.7406
22 C1x C 36.9815 -10.5573
23 C1x C 38.1171 -9.7185
24 O5a O 38.8887 -6.2689
25 O5a O 35.0447 -6.2726
26 C1c C 20.7696 -19.3291
27 C8x C 23.0714 -15.9209
28 C5a C 23.0667 -18.4570
29 N1b N 21.8638 -18.4471
30 C8y C 20.7992 -20.7345
31 S2x S 22.6727 -28.2724
32 C8y C 24.9267 -28.5633
33 N5x N 24.6654 -27.1856
34 C8y C 23.2760 -27.0058
35 N5x N 28.9154 -18.1686
36 C8y C 27.7552 -17.2975
37 C8x C 26.6548 -18.0677
38 S2x S 27.0305 -19.4873
39 C8y C 28.4284 -19.4797
40 C8x C 27.7336 -13.0733
41 C8x C 26.5278 -13.8045
42 C8y C 26.5608 -15.2151
43 C8y C 27.7954 -15.8884
44 N5x N 28.9941 -15.1573
45 C8y C 25.3550 -15.9478
46 C8y C 29.2035 -20.6577
47 N5x N 28.7083 -21.9843
48 C8y C 29.8125 -22.8610
49 S2x S 30.9833 -22.0859
50 C8x C 30.6126 -20.6575
51 S2x S 24.2170 -15.0991
52 C8y C 23.4962 -17.2592
53 N5x N 24.9041 -17.2749
54 C1c C 29.8196 -24.2681
55 N1b N 28.5379 -24.9873
56 C1c C 30.9530 -24.9918
57 C8y C 32.1858 -24.3070
58 C8x C 33.3868 -25.0317
59 C8x C 34.6824 -24.3469
60 C8x C 34.6420 -22.9386
61 C8x C 33.4316 -22.2151
62 C8x C 32.1988 -22.8997
63 C5a C 28.5555 -26.3955
64 C1b C 27.3430 -27.1152
65 N1b N 27.3607 -28.5234
66 C5a C 26.1530 -29.2470
67 O5a O 26.1766 -30.6552
68 C1c C 22.5548 -25.7896
69 N1b N 23.2440 -24.5595
70 C1c C 21.1464 -25.7372
71 C1a C 20.4272 -24.5943
72 C1a C 20.4574 -27.0376
73 C5a C 22.5134 -23.3546
74 O5a O 23.1938 -22.1194
75 O5a O 29.7860 -27.0844
76 S2x S 19.6771 -21.5846
77 C8y C 20.1422 -22.9127
78 C8y C 21.5474 -22.8830
79 N5x N 21.9492 -21.5366
80 O5a O 23.8509 -19.6032
81 C1b C 19.5331 -18.6515
82 C5a C 18.3219 -19.3729
83 N1b N 17.0998 -18.6863
84 C1a C 15.8957 -19.4079
85 O5a O 18.3422 -20.7815
86 C1a C 19.1997 -23.5822
87 O1a O 30.9403 -26.3950
BOND 97
1 16 17 1
2 17 13 1
3 2 3 1
4 15 18 1
5 18 20 1
6 5 6 1
7 8 9 1
8 9 10 1
9 10 11 2
10 11 12 1
11 19 20 1
12 20 21 1
13 21 22 1
14 22 23 1
15 23 19 1
16 12 8 2
17 5 24 2
18 1 2 1
19 18 25 2
20 11 13 1
21 3 4 1
22 7 8 1
23 19 5 1
24 13 14 2
25 14 15 1
26 27 52 2
27 52 53 1
28 53 45 2
29 38 39 1
30 48 54 1
31 39 35 2
32 54 55 1
33 54 56 1
34 26 30 1
35 56 57 1
36 40 41 2
37 57 58 2
38 58 59 1
39 59 60 2
40 60 61 1
41 61 62 2
42 62 57 1
43 41 42 1
44 55 63 1
45 42 43 2
46 63 64 1
47 43 44 1
48 64 65 1
49 44 7 2
50 65 66 1
51 66 32 1
52 7 40 1
53 66 67 2
54 34 68 1
55 68 69 1
56 31 1 1
57 68 70 1
58 42 45 1
59 70 71 1
60 43 36 1
61 70 72 1
62 1 32 2
63 69 73 1
64 39 46 1
65 73 74 2
66 32 33 1
67 33 34 2
68 63 75 2
69 34 31 1
70 46 47 1
71 47 48 2
72 48 49 1
73 49 50 1
74 50 46 2
75 30 76 1
76 76 77 1
77 77 78 2
78 78 79 1
79 79 30 2
80 73 78 1
81 28 29 1
82 29 26 1
83 28 80 2
84 26 81 1
85 81 82 1
86 82 83 1
87 83 84 1
88 35 36 1
89 82 85 2
90 36 37 2
91 37 38 1
92 45 51 1
93 51 27 1
94 77 86 1
95 15 16 1
96 56 87 1
97 52 28 1
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