ATOM 85
1 O2a O 15.9420 -16.6327
2 C1y C 14.7435 -15.9226
3 O2x O 14.7619 -14.5381
4 C1y C 13.5308 -16.5960
5 C1y C 13.5714 -13.8439
6 C1y C 12.3462 -15.8874
7 O1a O 13.5091 -17.9856
8 C1y C 12.3048 -14.5086
9 C1b C 13.5931 -12.4543
10 O1a O 11.1389 -16.5381
11 O1a O 11.1878 -13.7977
12 O1a O 14.7944 -11.7743
13 C1y C 21.8067 -21.4957
14 O2x O 21.8406 -22.8782
15 C1y C 23.0900 -20.8374
16 C1y C 23.0210 -23.5993
17 C1y C 24.1972 -21.5521
18 O1a O 23.1305 -19.4380
19 C1y C 24.2245 -22.9434
20 C1b C 22.9760 -24.9730
21 O1a O 25.4681 -20.8909
22 O1a O 25.4070 -23.6550
23 C1y C 38.6191 -11.8736
24 O2x O 38.6379 -13.2543
25 C1y C 39.8218 -11.1845
26 C1y C 39.8275 -13.9256
27 C1y C 41.0103 -11.8620
28 O1a O 39.8089 -9.8171
29 C1y C 41.0103 -13.2355
30 C1b C 39.8463 -15.3061
31 O1a O 42.1930 -11.1788
32 O1a O 42.2118 -13.9199
33 O1a O 38.6379 -16.0138
34 C1y C 19.5068 -18.7380
35 C1y C 19.5090 -20.1131
36 O2x O 18.3244 -18.0374
37 C1y C 18.3164 -20.7939
38 O2a O 20.6724 -20.8020
39 C1y C 17.1235 -18.7285
40 C1y C 17.1230 -20.0938
41 O1a O 18.3141 -22.1879
42 C1b C 15.9320 -18.0292
43 O2a O 15.9123 -20.7939
44 C1y C 14.6944 -21.4884
45 C1y C 14.7105 -22.8648
46 O2x O 13.5054 -20.7988
47 C1y C 13.5115 -23.5568
48 O1a O 15.9215 -23.5469
49 C1y C 12.3023 -21.4928
50 C1y C 12.3130 -22.8647
51 O1a O 13.5105 -24.9232
52 C1a C 11.1140 -20.8024
53 O1a O 11.1281 -23.5582
54 C1y C 27.8561 -15.3117
55 C1z C 27.8748 -13.9370
56 C1y C 26.6676 -15.9889
57 C1x C 30.2474 -15.3421
58 C1y C 29.0764 -13.2724
59 C1x C 26.6921 -13.2480
60 C1a C 27.8691 -12.5636
61 C1y C 25.4977 -15.2929
62 C1x C 26.6676 -17.3625
63 C1y C 30.2149 -13.9615
64 C1y C 29.0764 -11.8919
65 C1x C 25.5036 -13.9123
66 C1z C 24.2904 -15.9830
67 C1x C 25.4662 -18.0528
68 O2x O 31.4547 -13.2783
69 C1z C 31.4547 -11.8919
70 C1a C 28.1090 -10.9059
71 C1y C 24.2904 -17.3565
72 C1x C 23.1007 -15.2929
73 C1a C 24.2775 -14.6026
74 C1b C 32.6432 -11.2018
75 O1a O 31.4547 -10.5115
76 C1x C 23.1007 -18.0528
77 C1x C 21.9120 -15.9830
78 C1b C 33.8390 -11.8919
79 C1y C 21.9120 -17.3565
80 C1c C 35.0217 -11.2018
81 O2a O 20.7163 -18.0528
82 C1b C 36.2045 -11.8862
83 C1a C 35.0217 -9.8283
84 O2a O 37.4079 -11.1840
85 O1a O 21.7445 -25.6313
BOND 94
1 2 1 1 #Up
2 2 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 4 7 1 #Down
7 5 8 1
8 5 9 1 #Up
9 6 10 1 #Up
10 8 11 1 #Down
11 9 12 1
12 6 8 1
13 15 17 1
14 15 18 1 #Down
15 16 19 1
16 16 20 1 #Up
17 17 21 1 #Up
18 19 22 1 #Down
19 17 19 1
20 23 24 1
21 23 25 1
22 24 26 1
23 25 27 1
24 25 28 1 #Down
25 26 29 1
26 26 30 1 #Up
27 27 31 1 #Up
28 29 32 1 #Down
29 30 33 1
30 27 29 1
31 13 14 1
32 34 35 1
33 34 36 1
34 35 37 1
35 35 38 1 #Down
36 36 39 1
37 37 40 1
38 37 41 1 #Up
39 39 42 1 #Up
40 40 43 1 #Down
41 44 43 1 #Up
42 44 45 1
43 44 46 1
44 45 47 1
45 45 48 1 #Down
46 46 49 1
47 47 50 1
48 47 51 1 #Down
49 49 52 1 #Down
50 50 53 1 #Up
51 39 40 1
52 49 50 1
53 54 55 1
54 54 56 1
55 54 57 1
56 55 58 1
57 55 59 1
58 55 60 1 #Up
59 56 61 1
60 56 62 1
61 57 63 1
62 58 64 1
63 59 65 1
64 61 66 1
65 62 67 1
66 63 68 1
67 64 69 1
68 64 70 1 #Down
69 66 71 1
70 66 72 1
71 66 73 1 #Up
72 69 74 1
73 69 75 1 #Down
74 71 76 1
75 72 77 1
76 74 78 1
77 76 79 1
78 78 80 1
79 79 81 1 #Up
80 80 82 1
81 80 83 1 #Down
82 58 63 1
83 61 65 1
84 67 71 1
85 68 69 1
86 77 79 1
87 34 81 1 #Up
88 13 15 1
89 82 84 1
90 23 84 1 #Up
91 13 38 1 #Up
92 14 16 1
93 20 85 1
94 42 1 1
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