ATOM 80
1 C8x C 12.6626 -12.8731
2 C8y C 12.6626 -14.2723
3 C8x C 13.8743 -14.9720
4 C8y C 15.0861 -14.2723
5 C8y C 15.0861 -12.8731
6 C8y C 13.8743 -12.1735
7 O7a O 16.3230 -14.9720
8 C7a C 17.5348 -14.2723
9 C8y C 18.7465 -14.9720
10 C8x C 18.7465 -16.3712
11 C8y C 19.9583 -17.0708
12 C8y C 21.1701 -16.3712
13 C8y C 21.1701 -14.9720
14 C8x C 19.9583 -14.2723
15 O1a O 13.8743 -10.7745
16 O1a O 16.2466 -12.0226
17 C6a C 11.4508 -14.9720
18 O6a O 10.2560 -14.2819
19 O6a O 11.4507 -16.3710
20 O6a O 17.5348 -12.8733
21 O7a O 22.4025 -14.2601
22 O7a O 22.4025 -17.0830
23 C7a C 22.4025 -12.8609
24 C1b C 23.5976 -12.1710
25 O6a O 21.1847 -12.1577
26 C1b C 24.7883 -12.8731
27 C1b C 26.0002 -12.1735
28 C1b C 27.2119 -12.8731
29 C1b C 28.4236 -12.1735
30 C1b C 29.6355 -12.8731
31 C7a C 23.6081 -16.3872
32 C1b C 24.7892 -17.0693
33 O6a O 23.6086 -14.9724
34 C1b C 25.9777 -16.3712
35 C1b C 27.1895 -17.0708
36 C1b C 28.4012 -16.3712
37 C1b C 29.6130 -17.0708
38 C1b C 30.8248 -16.3712
39 O7a O 19.9583 -18.4700
40 C7a C 21.1700 -19.1697
41 C1b C 21.1700 -20.5689
42 O6a O 22.4025 -18.4578
43 C1b C 22.4096 -21.2685
44 C1b C 23.6215 -20.5689
45 C1b C 24.8332 -21.2685
46 C1b C 26.0449 -20.5689
47 C1b C 27.2568 -21.2685
48 C1b C 30.8257 -12.1857
49 C2b C 32.0164 -12.8731
50 C2b C 33.4164 -12.8731
51 C1b C 34.6024 -12.1800
52 C1b C 35.8149 -12.8800
53 C1b C 37.0273 -12.1800
54 C1b C 38.2397 -12.8800
55 C1b C 39.4522 -12.1800
56 C1b C 40.6646 -12.8800
57 C1b C 41.8770 -12.1800
58 C1a C 43.0766 -12.8727
59 C1b C 32.0222 -17.0628
60 C2b C 33.2032 -16.3813
61 C2b C 34.6032 -16.3813
62 C1b C 35.7924 -17.0800
63 C1b C 37.0049 -16.3800
64 C1b C 38.2173 -17.0800
65 C1b C 39.4297 -16.3800
66 C1b C 40.6422 -17.0800
67 C1b C 41.8546 -16.3800
68 C1b C 43.0670 -17.0800
69 C1a C 44.2795 -16.3800
70 C1b C 28.4441 -20.5829
71 C2b C 29.6372 -21.2717
72 C2b C 31.0372 -21.2717
73 C1b C 32.2224 -20.5800
74 C1b C 33.4349 -21.2800
75 C1b C 34.6473 -20.5800
76 C1b C 35.8597 -21.2800
77 C1b C 37.0722 -20.5800
78 C1b C 38.2846 -21.2800
79 C1b C 39.4970 -20.5800
80 C1a C 40.7095 -21.2800
BOND 81
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 6 15 1
17 5 16 1
18 2 17 1
19 17 18 1
20 17 19 2
21 8 20 2
22 13 21 1
23 12 22 1
24 21 23 1
25 23 24 1
26 23 25 2
27 24 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 22 31 1
33 31 32 1
34 31 33 2
35 32 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 37 38 1
40 11 39 1
41 39 40 1
42 40 41 1
43 40 42 2
44 41 43 1
45 43 44 1
46 44 45 1
47 45 46 1
48 46 47 1
49 30 48 1
50 48 49 1
51 49 50 2
52 50 51 1
53 51 52 1
54 52 53 1
55 53 54 1
56 54 55 1
57 55 56 1
58 56 57 1
59 57 58 1
60 38 59 1
61 59 60 1
62 60 61 2
63 61 62 1
64 62 63 1
65 63 64 1
66 64 65 1
67 65 66 1
68 66 67 1
69 67 68 1
70 68 69 1
71 47 70 1
72 70 71 1
73 71 72 2
74 72 73 1
75 73 74 1
76 74 75 1
77 75 76 1
78 76 77 1
79 77 78 1
80 78 79 1
81 79 80 1
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