ATOM 86
1 C1y C 0.5690 0.3138
2 C1y C 0.5690 -0.2207
3 O2a O 1.0310 0.5793
4 O2x O 0.1138 0.5793
5 C1y C 0.1138 -0.4862
6 N1b N 1.0310 -0.4862
7 C1y C 1.4966 0.8517
8 C1y C -0.3517 0.3138
9 C1y C -0.3517 -0.2207
10 O1a O 0.1138 -1.0172
11 S4a S 1.0345 -1.0172
12 C1y C 1.4966 1.3828
13 C1y C 1.9586 0.5793
14 C1b C -0.8138 0.5793
15 O2a O -0.8138 -0.4862
16 O1d O 1.1724 -1.5310
17 O1d O 1.4931 -1.2828
18 O1d O 0.5724 -1.2828
19 O2x O 1.9586 1.6483
20 C6a C 1.0310 1.6483
21 C1y C 2.4207 0.8517
22 O1a O 1.9586 0.0517
23 O2a O -1.2759 0.3138
24 C1y C -1.2759 -0.7517
25 C1y C 2.4207 1.3828
26 O6a O 0.5690 1.3828
27 O6a O 1.0310 2.1828
28 O2a O 2.8828 0.5793
29 S4a S -1.7379 0.5793
30 O2x O -1.7345 -0.4862
31 C1y C -1.2759 -1.2862
32 O2a O 2.8828 1.6483
33 S4a S 3.3414 0.3172
34 O1d O -2.1966 0.3103
35 O1d O -1.7379 1.1103
36 O1d O -1.5966 0.0655
37 C1y C -2.1966 -0.7517
38 C1y C -1.7345 -1.5483
39 O1a O -0.8138 -1.5483
40 C1y C 3.3414 1.9138
41 O1d O 3.4793 -0.2034
42 O1d O 3.8034 0.0483
43 O1d O 2.8793 0.0448
44 C1y C -2.1966 -1.2862
45 C6a C -2.6621 -0.4862
46 O1a O -1.7310 -2.0862
47 C1y C 3.3414 2.4483
48 C1y C 3.8069 1.6483
49 O2a O -2.6621 -1.5483
50 O6a O -3.1241 -0.7517
51 O6a O -2.6621 0.0517
52 O2x O 3.8069 2.7172
53 C1b C 2.8828 2.7172
54 C1y C 4.2655 1.9138
55 O1a O 3.8069 1.1172
56 C1y C -3.1241 -1.8172
57 C1y C 4.2655 2.4483
58 O2a O 2.4207 2.4483
59 N1b N 4.7276 1.6483
60 C1y C -3.1241 -2.3517
61 O2x O -3.5828 -1.5483
62 O1a O 4.7276 2.7138
63 S4a S 1.9586 2.7172
64 C5a C 5.1862 1.3828
65 C1y C -3.5828 -2.6172
66 N1b N -2.6621 -2.6172
67 C1y C -4.0448 -1.8172
68 Z * 5.5000 2.4483
69 O1d O 1.4966 2.4483
70 O1d O 1.9586 3.2483
71 O1d O 2.0966 2.2000
72 C1a C 5.6483 1.6517
73 O5a O 5.1862 0.8517
74 C1y C -4.0448 -2.3517
75 O1a O -3.5828 -3.1483
76 C5a C -2.1966 -2.8828
77 C1b C -4.5069 -1.5483
78 O1a O -4.5069 -2.6172
79 C1a C -1.7379 -2.6138
80 O5a O -2.1966 -3.4138
81 O2a O -4.9690 -1.8172
82 S4a S -5.4310 -1.5483
83 O1d O -5.8931 -1.8172
84 O1d O -5.4310 -1.0172
85 O1d O -5.2966 -2.0655
86 Z * -6.6276 -1.5483
BOND 90
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 2 5 1
5 2 6 1 #Down
6 7 3 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 7 12 1
12 7 13 1
13 8 14 1 #Up
14 9 15 1 #Down
15 11 16 1
16 11 17 2
17 11 18 2
18 12 19 1
19 12 20 1 #Down
20 13 21 1
21 13 22 1 #Up
22 14 23 1
23 24 15 1 #Up
24 19 25 1
25 20 26 1
26 20 27 2
27 21 28 1 #Down
28 23 29 1
29 24 30 1
30 24 31 1
31 25 32 1 #Up
32 28 33 1
33 29 34 1
34 29 35 2
35 29 36 2
36 30 37 1
37 31 38 1
38 31 39 1 #Down
39 40 32 1 #Down
40 33 41 1
41 33 42 2
42 33 43 2
43 37 44 1
44 37 45 1 #Up
45 38 46 1 #Up
46 40 47 1
47 40 48 1
48 44 49 1 #Down
49 45 50 1
50 45 51 2
51 47 52 1
52 47 53 1 #Up
53 48 54 1
54 48 55 1 #Up
55 56 49 1 #Down
56 52 57 1
57 53 58 1
58 54 59 1 #Down
59 56 60 1
60 56 61 1
61 57 62 1 #Down
62 58 63 1
63 59 64 1
64 60 65 1
65 60 66 1 #Down
66 61 67 1
67 62 68 1
68 63 69 1
69 63 70 2
70 63 71 2
71 64 72 1
72 64 73 2
73 65 74 1
74 65 75 1 #Up
75 66 76 1
76 67 77 1 #Up
77 74 78 1 #Down
78 76 79 1
79 76 80 2
80 77 81 1
81 81 82 1
82 82 83 1
83 82 84 1
84 82 85 2
85 83 86 1
86 8 9 1
87 21 25 1
88 38 44 1
89 54 57 1
90 67 74 1
BRACKET 1 -6.3000 -1.9207 -6.3000 -1.3793
1 5.1103 2.8483 5.1103 2.3207
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
1 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32
1 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48
1 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64
1 65 66 67 69 70 71 72 73 74 75 76 77 78 79 80 81
1 82 83 84 85
REPEAT 1
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