ATOM 83
1 C5x C 26.3193 -26.3449
2 C1x C 26.7322 -27.6525
3 C1x C 28.1087 -27.6525
4 C1y C 28.5217 -26.3449
5 N1x N 27.4205 -25.5190
6 C5a C 29.6917 -25.6566
7 N1y N 30.9306 -26.3449
8 C1x C 31.3435 -27.6525
9 C1x C 32.7200 -27.6525
10 C1x C 33.1330 -26.3449
11 C1y C 32.0318 -25.5190
12 O5x O 25.0086 -25.9240
13 O5a O 29.6748 -24.4179
14 C5a C 32.0318 -24.1425
15 N1b N 33.2238 -23.4542
16 O5a O 30.8397 -23.4542
17 C1c C 34.3993 -24.1330
18 C5a C 35.5668 -23.4590
19 N1b N 36.7380 -24.1355
20 C1b C 34.3994 -25.5187
21 O1a O 35.5708 -26.1951
22 O5a O 35.5670 -22.0779
23 C1c C 37.9075 -23.4603
24 C1b C 39.0776 -24.1362
25 C1b C 40.2478 -23.4607
26 C5a C 37.9078 -20.8390
27 C1b C 41.4176 -24.1364
28 C1b C 42.5879 -23.4608
29 N1a N 43.7577 -24.1364
30 N1b N 39.2871 -19.8179
31 C1c C 39.2871 -18.4413
32 C1b C 40.4623 -17.7624
33 C6a C 41.6202 -18.4305
34 O6a O 42.7960 -17.7511
35 O6a O 41.6206 -19.8063
36 C5a C 38.0686 -17.7380
37 N1b N 36.8899 -18.4187
38 C1c C 35.7240 -17.7457
39 C5a C 34.5521 -18.4226
40 N1b N 33.3828 -17.7477
41 O5a O 38.0685 -16.3653
42 C1a C 35.7238 -16.3654
43 O5a O 34.5522 -19.8062
44 C1c C 32.2126 -18.4236
45 C5a C 31.0424 -17.7483
46 C1b C 32.2127 -19.8063
47 O5a O 36.5422 -20.1786
48 C8y C 31.0398 -20.4836
49 C8x C 29.8738 -19.8105
50 C8x C 28.6818 -20.4988
51 C8x C 28.6819 -21.8753
52 C8x C 29.8480 -22.5485
53 C8x C 31.0399 -21.8601
54 N1b N 29.8727 -18.4239
55 O5a O 31.0420 -16.3655
56 C1c C 28.7022 -17.7485
57 C1c C 27.5327 -18.4240
58 C1b C 26.3621 -17.7485
59 C1a C 27.5329 -19.8063
60 C5a C 28.7018 -16.3655
61 N1b N 27.5293 -15.6887
62 O5a O 29.9134 -15.6653
63 C1b C 26.3661 -16.3652
64 C5a C 25.1739 -15.6769
65 N1b N 23.9819 -16.3652
66 C1c C 22.7898 -15.6769
67 C1b C 21.5977 -16.3652
68 O5a O 25.1739 -14.3006
69 C5a C 22.7898 -13.1305
70 O5a O 23.9964 -12.4338
71 N1b N 21.6122 -12.4506
72 C1c C 20.4440 -13.1252
73 C1b C 19.2731 -12.4490
74 C1b C 18.1035 -13.1243
75 S2a S 16.9333 -12.4486
76 C1a C 15.7633 -13.1241
77 C5a C 20.4439 -14.5067
78 N1a N 19.2708 -15.1841
79 O5a O 21.6549 -15.2061
80 C1c C 21.5977 -17.7417
81 C1a C 20.3852 -18.4419
82 C1a C 22.7692 -18.4181
83 C1a C 25.1927 -18.4241
BOND 85
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 1 #Down
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 7 11 1
13 1 12 2
14 6 13 2
15 11 14 1 #Down
16 14 15 1
17 14 16 2
18 15 17 1
19 17 18 1
20 18 19 1
21 17 20 1 #Down
22 20 21 1
23 18 22 2
24 19 23 1
25 23 24 1
26 24 25 1
27 23 26 1 #Down
28 25 27 1
29 27 28 1
30 28 29 1
31 26 30 1
32 31 30 1 #Down
33 31 32 1
34 32 33 1
35 33 34 1
36 33 35 2
37 31 36 1
38 36 37 1
39 37 38 1
40 38 39 1
41 39 40 1
42 36 41 2
43 38 42 1 #Down
44 39 43 2
45 40 44 1
46 44 45 1
47 44 46 1 #Up
48 26 47 2
49 46 48 1
50 48 49 2
51 49 50 1
52 50 51 2
53 51 52 1
54 52 53 2
55 48 53 1
56 45 54 1
57 45 55 2
58 54 56 1
59 56 57 1
60 57 58 1
61 57 59 1 #Up
62 56 60 1 #Up
63 60 61 1
64 60 62 2
65 61 63 1
66 63 64 1
67 64 65 1
68 65 66 1
69 66 67 1
70 64 68 2
71 66 69 1 #Up
72 69 70 2
73 69 71 1
74 71 72 1
75 72 73 1
76 73 74 1
77 74 75 1
78 75 76 1
79 72 77 1 #Down
80 77 78 1
81 77 79 2
82 67 80 1
83 80 81 1
84 80 82 1
85 58 83 1
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