ATOM 84
1 C8y C 10.8509 -8.5536
2 C8x C 10.8509 -9.9487
3 C8y C 12.1065 -10.6463
4 C8y C 13.2923 -9.9487
5 C8y C 13.2923 -8.5536
6 C8x C 12.1065 -7.8561
7 C1y C 14.4781 -10.6463
8 C1y C 15.6640 -9.9487
9 C1y C 15.6640 -8.5536
10 O2x O 14.4781 -7.8561
11 O1a O 12.1065 -11.8321
12 O1a O 9.6651 -7.8561
13 C8y C 16.8498 -7.8561
14 C8y C 14.4781 -12.7389
15 C8y C 13.2923 -13.4365
16 C8x C 13.2923 -14.7618
17 C8y C 14.4781 -15.4594
18 C8y C 15.6640 -14.7618
19 C8y C 15.6640 -13.4365
20 O1a O 12.1065 -12.7389
21 C1y C 16.8498 -15.4594
22 C1y C 18.0356 -14.7618
23 C1y C 18.0356 -13.4365
24 O2x O 16.8498 -12.7389
25 C8x C 18.0356 -8.5536
26 C8y C 19.2215 -7.8561
27 C8y C 19.2215 -6.4610
28 C8x C 18.0356 -5.8332
29 C8x C 16.8498 -6.5307
30 O1a O 20.4073 -5.7634
31 O1a O 20.4771 -8.5536
32 O1a O 16.8498 -10.6463
33 O1a O 14.4781 -16.6452
34 C8y C 19.2912 -12.7389
35 O1a O 19.2912 -15.4594
36 C8x C 20.4771 -13.3667
37 C8y C 21.6629 -12.7389
38 C8y C 21.6629 -11.3438
39 C8x C 20.4771 -10.6463
40 C8x C 19.2912 -11.3438
41 O1a O 22.8487 -10.6463
42 O1a O 22.8487 -13.4365
43 C8y C 16.8498 -17.5520
44 C8y C 15.6640 -18.2496
45 C8x C 15.6640 -19.6447
46 C8y C 16.9196 -20.3422
47 C8y C 18.0356 -19.6447
48 C8y C 18.0356 -18.2496
49 O1a O 14.5479 -17.5520
50 C1y C 19.2438 -20.3422
51 C1y C 20.4521 -19.6447
52 C1y C 20.4521 -18.2496
53 O2x O 19.2438 -17.5520
54 C8y C 21.6788 -17.5411
55 C8x C 22.8798 -18.2343
56 C8x C 21.6785 -16.1570
57 C8x C 22.8868 -15.4595
58 C8y C 24.1185 -16.1710
59 O1a O 25.3222 -15.4763
60 C8y C 24.1185 -17.5661
61 O1a O 25.3000 -18.2710
62 O1a O 21.6788 -20.3532
63 C8y C 19.2438 -22.4347
64 C8y C 18.0189 -23.1422
65 C8x C 18.0191 -24.5373
66 C8y C 19.2274 -25.2347
67 C8y C 20.4523 -24.5273
68 C8y C 20.4521 -23.1322
69 C1x C 21.6605 -25.2248
70 C1y C 22.8687 -24.5270
71 C1y C 22.8685 -23.1319
72 O2x O 21.6602 -22.4345
73 O1a O 16.9196 -21.5280
74 O1a O 16.8191 -22.4495
75 O1a O 19.2275 -26.6203
76 C8y C 24.0614 -22.4427
77 O1a O 24.0622 -25.2160
78 C8x C 25.2462 -23.1266
79 C8x C 24.0613 -21.0401
80 C8y C 26.4323 -22.4413
81 C8y C 26.4323 -21.0462
82 C8x C 25.2242 -20.3487
83 O1a O 27.6236 -20.3582
84 O1a O 27.6182 -23.1260
BOND 95
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 3 11 1
13 1 12 1
14 9 13 1 #Down
15 7 14 1 #Up
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 15 20 1
23 18 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 19 24 1
28 13 25 2
29 25 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 13 29 1
34 27 30 1
35 26 31 1
36 8 32 1 #Down
37 17 33 1
38 23 34 1 #Down
39 22 35 1 #Down
40 34 36 2
41 36 37 1
42 37 38 2
43 38 39 1
44 39 40 2
45 34 40 1
46 38 41 1
47 37 42 1
48 21 43 1 #Up
49 43 44 2
50 44 45 1
51 45 46 2
52 46 47 1
53 47 48 2
54 43 48 1
55 44 49 1
56 47 50 1
57 50 51 1
58 51 52 1
59 52 53 1
60 48 53 1
61 52 54 1 #Down
62 54 55 2
63 54 56 1
64 56 57 2
65 57 58 1
66 58 59 1
67 58 60 2
68 60 55 1
69 60 61 1
70 51 62 1 #Down
71 50 63 1 #Up
72 63 64 2
73 64 65 1
74 65 66 2
75 66 67 1
76 67 68 2
77 63 68 1
78 67 69 1
79 69 70 1
80 70 71 1
81 71 72 1
82 68 72 1
83 46 73 1
84 64 74 1
85 66 75 1
86 71 76 1 #Down
87 70 77 1 #Up
88 76 78 2
89 76 79 1
90 78 80 1
91 80 81 2
92 81 82 1
93 82 79 2
94 81 83 1
95 80 84 1
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