ATOM 82
1 C1y C 25.5081 -23.8487
2 C8y C 26.6540 -23.3448
3 C1x C 25.4940 -26.1716
4 C5a C 28.3802 -9.3523
5 O5a O 29.6596 -9.3523
6 N1a N 30.2994 -8.2008
7 C5a C 29.6596 -7.1132
8 C2c C 28.3802 -7.1132
9 N1b N 27.7404 -8.2647
10 O5a O 30.2994 -6.0256
11 C2a C 27.7404 -6.0256
12 C8y C 22.2905 -22.8509
13 C8y C 24.9775 -17.9249
14 N5x N 21.7148 -15.8777
15 C8y C 22.0986 -14.6622
16 S2x S 21.0750 -13.9585
17 C8x C 20.0514 -14.6622
18 C8y C 20.4353 -15.8777
19 C8y C 24.3377 -15.9417
20 C8x C 23.3141 -16.7094
21 S2x S 23.6980 -17.9249
22 N5x N 25.4253 -16.7094
23 C8y C 24.3377 -14.6622
24 N5x N 25.4253 -14.0224
25 C8y C 25.4253 -12.7430
26 C8y C 24.3377 -12.1032
27 C8x C 23.1862 -12.7430
28 C8y C 23.1862 -14.0224
29 C5a C 20.0514 -17.0932
30 N1b N 18.9639 -17.7330
31 C1c C 18.4521 -18.9485
32 C1c C 17.1726 -18.9485
33 O1a O 16.4689 -20.1000
34 C1a C 16.5328 -17.9249
35 C5a C 19.0918 -20.0360
36 N1b N 18.4521 -21.1236
37 C2c C 19.0918 -22.2112
38 C2b C 18.4521 -23.3627
39 C1a C 17.1726 -23.3627
40 O5a O 20.3713 -20.0360
41 O5a O 21.0750 -17.9249
42 C8y C 20.3713 -22.2112
43 N5x N 21.0750 -23.2348
44 C8x C 22.2905 -21.5714
45 S2x S 21.0750 -21.1876
46 C8y C 26.5128 -12.1032
47 S2x S 27.6644 -12.6790
48 C8x C 28.5600 -11.7194
49 C8y C 27.9203 -10.5678
50 N5x N 26.6408 -10.8237
51 O1a O 24.3377 -10.8237
52 C5a C 23.3225 -23.6073
53 N1b N 24.4823 -23.0967
54 O5a O 23.3102 -24.8912
55 S2x S 27.7569 -23.9883
56 C8x C 28.7098 -23.1383
57 C8y C 28.1957 -21.9693
58 N5x N 26.9251 -22.0969
59 C5x C 28.8416 -20.8624
60 O5x O 30.0954 -20.8683
61 N1x N 28.2032 -19.7445
62 C1y C 25.7093 -19.8701
63 C1x C 26.4738 -18.5198
64 S2x S 27.7180 -18.5410
65 C5x C 28.3039 -17.3580
66 C8y C 29.5830 -17.3721
67 O5x O 27.6449 -16.2525
68 C1y C 26.5942 -26.8228
69 O1a O 26.5803 -28.0968
70 C1x C 32.6128 -24.7665
71 C8y C 30.3131 -18.4003
72 C8y C 31.5166 -18.0236
73 C8y C 31.5304 -16.7626
74 N4x N 30.3352 -16.3599
75 C8y C 32.6177 -18.6753
76 C8x C 33.7327 -18.0476
77 C8x C 33.7463 -16.7865
78 C8x C 32.6452 -16.1348
79 C1a C 29.9100 -19.5953
80 C7x C 27.6981 -26.2012
81 O7x O 28.8107 -26.8599
82 O6a O 27.7118 -24.8982
BOND 91
1 1 2 1
2 1 3 1
3 7 10 2
4 42 43 2
5 43 12 1
6 12 44 2
7 44 45 1
8 45 42 1
9 4 5 2
10 25 46 1
11 8 11 2
12 6 7 1
13 23 24 2
14 24 25 1
15 46 47 1
16 47 48 1
17 48 49 2
18 49 50 1
19 50 46 2
20 49 4 1
21 22 13 2
22 20 21 1
23 25 26 2
24 26 27 1
25 27 28 2
26 28 23 1
27 28 15 1
28 7 8 1
29 18 29 1
30 14 15 2
31 29 30 1
32 15 16 1
33 31 30 1 #Down
34 16 17 1
35 31 32 1
36 17 18 2
37 32 33 1 #Down
38 18 14 1
39 32 34 1
40 31 35 1
41 8 9 1
42 35 36 1
43 36 37 1
44 9 4 1
45 37 38 2
46 19 20 2
47 38 39 1
48 21 13 1
49 35 40 2
50 22 19 1
51 29 41 2
52 37 42 1
53 19 23 1
54 26 51 1
55 12 52 1
56 52 53 1
57 52 54 2
58 1 53 1 #Up
59 2 55 1
60 55 56 1
61 56 57 2
62 57 58 1
63 2 58 2
64 57 59 1
65 59 60 2
66 59 61 1
67 13 62 1
68 62 61 1 #Down
69 62 63 1
70 63 64 1
71 64 65 1
72 65 66 1
73 65 67 2
74 3 68 1
75 68 69 1
76 66 71 2
77 71 72 1
78 72 73 1
79 73 74 1
80 66 74 1
81 72 75 2
82 75 76 1
83 76 77 2
84 77 78 1
85 73 78 2
86 71 79 1
87 75 70 1
88 68 80 1
89 80 81 1
90 80 82 2
91 81 70 1
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