ATOM 85
1 C1x C 23.5107 -17.6840
2 C1y C 23.5107 -19.0649
3 C1x C 24.6844 -19.7553
4 C2y C 25.9272 -19.0649
5 C1z C 25.9272 -17.6840
6 C1x C 24.6844 -16.9936
7 C2x C 27.1009 -19.7553
8 C1x C 28.2747 -19.0649
9 C1y C 28.2747 -17.6840
10 C1y C 27.1009 -16.9936
11 C1y C 29.5175 -16.9936
12 C1z C 29.5175 -15.6127
13 C1x C 28.2747 -14.9223
14 C1x C 27.1009 -15.6127
15 C1x C 31.8650 -16.9936
16 C1y C 31.8650 -15.6127
17 C1y C 30.6912 -14.9223
18 O2x O 33.1078 -14.9223
19 C1z C 33.1078 -13.5414
20 C1y C 30.6912 -13.5414
21 O2a O 33.1078 -12.1605
22 C1a C 29.5175 -14.2318
23 C1a C 25.9272 -16.3031
24 O2a O 22.3369 -19.7553
25 C1y C 21.0941 -20.4458
26 O2x O 19.9204 -19.7553
27 C1y C 18.6776 -20.4458
28 C1y C 18.6776 -21.8266
29 C1y C 19.9204 -22.5171
30 C1y C 21.0941 -21.8266
31 C1b C 17.5039 -19.7553
32 O1a O 16.3301 -20.4458
33 O2a O 17.5039 -22.5171
34 O1a O 19.9204 -23.8980
35 O1a O 22.2679 -22.5171
36 C1y C 16.2611 -23.2075
37 O2x O 15.0873 -22.5171
38 C1y C 13.8445 -23.2075
39 C1y C 13.8445 -24.5884
40 C1y C 15.0873 -25.2788
41 C1y C 16.2611 -24.5884
42 C1b C 12.6708 -22.5171
43 O1a O 11.4970 -23.2075
44 O1a O 12.6708 -25.2788
45 O2a O 15.0873 -26.6597
46 O2a O 17.4348 -25.2788
47 C1y C 13.9136 -27.3502
48 O2x O 12.7398 -26.6597
49 C1x C 11.4970 -27.3502
50 C1y C 11.4970 -28.7310
51 C1y C 12.7398 -29.4215
52 C1y C 13.9136 -28.7310
53 O1a O 10.3233 -29.4215
54 O1a O 12.7398 -30.8023
55 O1a O 15.0873 -29.4215
56 C1y C 18.6086 -25.9693
57 C1y C 18.6086 -27.3502
58 C1y C 19.8513 -28.0406
59 C1y C 21.0251 -27.3502
60 C1y C 21.0251 -25.9693
61 O2x O 19.8513 -25.2788
62 O1a O 17.4348 -28.0406
63 O1a O 19.8513 -29.4215
64 O1a O 22.1988 -28.0406
65 C1b C 22.1988 -25.2788
66 O1a O 23.3726 -25.9693
67 C1a C 34.2815 -11.4701
68 C1b C 34.2815 -12.8510
69 C1b C 35.4552 -13.5414
70 C1c C 36.6290 -12.8510
71 C1b C 37.8027 -13.5414
72 C1a C 36.6290 -11.4701
73 O2a O 38.9765 -12.8510
74 C1y C 40.1502 -13.5414
75 C1y C 40.1502 -14.9223
76 C1y C 41.3930 -15.6127
77 C1y C 42.5668 -14.9223
78 C1y C 42.5668 -13.5414
79 O2x O 41.3930 -12.8510
80 C1b C 43.7405 -12.8510
81 O1a O 44.9142 -13.5414
82 O1a O 41.3930 -16.9936
83 O1a O 38.9765 -15.6127
84 O1a O 43.7405 -15.6127
85 C1a C 29.6700 -12.5201
BOND 94
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 16 18 1
22 18 19 1
23 19 20 1
24 17 20 1
25 19 21 1
26 12 22 1
27 5 23 1
28 2 24 1
29 24 25 1
30 25 26 1
31 26 27 1
32 27 28 1
33 28 29 1
34 29 30 1
35 25 30 1
36 27 31 1
37 31 32 1
38 28 33 1
39 29 34 1
40 30 35 1
41 33 36 1
42 36 37 1
43 37 38 1
44 38 39 1
45 39 40 1
46 40 41 1
47 36 41 1
48 38 42 1
49 42 43 1
50 39 44 1
51 40 45 1
52 41 46 1
53 45 47 1
54 47 48 1
55 48 49 1
56 49 50 1
57 50 51 1
58 51 52 1
59 47 52 1
60 50 53 1
61 51 54 1
62 52 55 1
63 46 56 1
64 56 57 1
65 57 58 1
66 58 59 1
67 59 60 1
68 60 61 1
69 56 61 1
70 57 62 1
71 58 63 1
72 59 64 1
73 60 65 1
74 65 66 1
75 21 67 1
76 19 68 1
77 68 69 1
78 69 70 1
79 70 71 1
80 70 72 1
81 71 73 1
82 73 74 1
83 74 75 1
84 75 76 1
85 76 77 1
86 77 78 1
87 78 79 1
88 74 79 1
89 78 80 1
90 80 81 1
91 76 82 1
92 75 83 1
93 77 84 1
94 20 85 1
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