ATOM 80
1 C8y C 11.6900 -18.7600
2 C8y C 11.6900 -20.1600
3 C8y C 12.9024 -20.8600
4 C8y C 14.1149 -20.1600
5 C8y C 14.1149 -18.7600
6 C8x C 12.9024 -18.0600
7 O1a O 10.4776 -18.0600
8 O1a O 10.4776 -20.8600
9 O1a O 11.9801 -21.7223
10 C7x C 15.1649 -17.5476
11 O7x O 16.4949 -17.5476
12 O6a O 14.5511 -16.3627
13 C1x C 17.7073 -18.4576
14 C8y C 15.1748 -21.4299
15 C8y C 16.6448 -21.4299
16 C7x C 17.7173 -20.3099
17 O7x O 18.9335 -21.0034
18 C1y C 20.1421 -20.2969
19 C1y C 20.1322 -18.7246
20 C1y C 18.9160 -18.0311
21 C8y C 14.4748 -22.6424
22 C8y C 15.1748 -23.8548
23 C8y C 16.6448 -23.8548
24 C8x C 17.3448 -22.6424
25 O1a O 13.4026 -22.5847
26 O1a O 14.4721 -25.0719
27 O2a O 17.3551 -25.0852
28 C8y C 17.3551 -26.4852
29 C8y C 16.1573 -27.1765
30 C8y C 16.1570 -28.5765
31 C8y C 17.3694 -29.2768
32 C8x C 18.5672 -28.5854
33 C8y C 18.5675 -27.1854
34 O1a O 14.9475 -26.4778
35 O1a O 14.9613 -29.2665
36 O1a O 17.3690 -30.6600
37 C6a C 19.7776 -26.4870
38 O6a O 21.0019 -27.1945
39 O6a O 19.7774 -25.0604
40 O6a O 17.8696 -21.8722
41 C1y C 21.3583 -20.9904
42 O7x O 22.5670 -20.2839
43 C7x C 22.5570 -18.7116
44 O7x O 21.3408 -18.0181
45 C2y C 23.2570 -17.4991
46 C1y C 24.6570 -17.4991
47 C7x C 23.7794 -20.9839
48 C8y C 25.3418 -20.2139
49 C8y C 25.3570 -18.7116
50 C8x C 26.5471 -20.9261
51 C8y C 27.7666 -20.2384
52 C8y C 27.7818 -18.7361
53 C8y C 26.5765 -18.0238
54 O1a O 28.9971 -18.0508
55 O1a O 28.9853 -20.9588
56 O6a O 23.8027 -22.3984
57 O6a O 22.1947 -17.0793
58 C1z C 25.3570 -16.2867
59 C1z C 24.6570 -15.0742
60 C5x C 23.2570 -15.0742
61 C2x C 22.5570 -16.2867
62 O5x O 22.5423 -13.8362
63 O1a O 24.6570 -13.6742
64 O2x O 29.4870 -15.0742
65 O1a O 26.3847 -15.7143
66 O1a O 26.2893 -16.7643
67 O2x O 18.9160 -19.5711
68 C1y C 21.3583 -19.5904
69 O7a O 30.8000 -16.1000
70 C7a C 32.0124 -16.8000
71 C8y C 33.2249 -16.1000
72 O6a O 32.0124 -18.1998
73 C8x C 34.4560 -16.8110
74 C8y C 35.6685 -16.1112
75 C8y C 35.6687 -14.7112
76 C8y C 34.4376 -14.0002
77 C8x C 33.2251 -14.7000
78 O1a O 34.4378 -12.6000
79 O1a O 36.9095 -13.9949
80 O1a O 36.8992 -16.8224
BOND 89
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 2 8 1
9 3 9 1
10 5 10 1
11 10 11 1
12 10 12 2
13 11 13 1
14 4 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 13 20 1
22 14 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 15 24 2
27 21 25 1
28 22 26 1
29 23 27 1
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 31 32 1
35 32 33 2
36 28 33 1
37 29 34 1
38 30 35 1
39 31 36 1
40 33 37 1
41 37 38 1
42 37 39 2
43 16 40 2
44 18 41 1
45 41 42 1
46 43 44 1
47 19 44 1
48 43 45 1
49 45 46 1
50 42 47 1
51 47 48 1
52 46 49 1
53 49 48 1
54 48 50 2
55 50 51 1
56 51 52 2
57 52 53 1
58 49 53 2
59 52 54 1
60 51 55 1
61 47 56 2
62 43 57 2
63 46 58 1
64 58 59 1
65 59 60 1
66 60 61 1
67 45 61 2
68 60 62 2
69 59 63 1
70 59 64 1
71 53 64 1
72 58 65 1
73 58 66 1
74 20 67 1
75 41 68 1
76 67 68 1
77 68 69 1
78 69 70 1
79 70 71 1
80 70 72 2
81 71 73 2
82 73 74 1
83 74 75 2
84 75 76 1
85 76 77 2
86 71 77 1
87 76 78 1
88 75 79 1
89 74 80 1
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