ATOM 72
1 C1x C 22.3395 -19.7471
2 C1y C 22.3395 -21.1475
3 C1x C 23.5299 -21.8478
4 C2y C 24.7202 -21.1475
5 C1z C 24.7202 -19.7471
6 C1x C 23.5299 -19.0469
7 C2x C 25.9106 -21.8478
8 C1x C 27.1010 -21.1475
9 C1y C 27.1010 -19.7471
10 C1y C 25.9106 -19.0469
11 C1y C 28.2914 -19.0469
12 C1z C 28.2914 -17.7165
13 C1x C 27.1010 -17.0162
14 C1x C 25.9106 -17.7165
15 C1x C 30.6721 -19.0469
16 C1y C 30.6721 -17.7165
17 C1y C 29.4817 -17.0162
18 O2x O 31.8625 -17.0162
19 C2y C 31.8625 -15.6158
20 C2y C 29.4817 -15.6158
21 O2a O 21.1491 -21.8478
22 C1y C 19.9588 -22.4780
23 O2x O 18.7684 -21.7777
24 C1y C 17.5080 -22.4780
25 C1y C 17.5080 -23.8784
26 C1y C 18.7684 -24.5786
27 C1y C 19.9588 -23.8784
28 C1b C 16.3176 -21.7777
29 O1a O 18.7684 -25.9791
30 C1a C 24.7202 -18.3467
31 C1a C 28.2914 -16.3160
32 C1a C 29.4817 -14.2154
33 C1b C 33.0529 -14.9156
34 C1b C 34.2432 -15.6158
35 C1c C 35.4336 -14.9156
36 C1b C 36.6240 -15.6158
37 O2a O 37.7443 -14.9156
38 C1y C 38.9347 -15.6158
39 C1y C 38.9347 -17.0162
40 C1y C 40.1251 -17.7165
41 C1y C 41.3155 -17.0162
42 C1y C 41.3155 -15.6158
43 O2x O 40.1251 -14.9156
44 O2a O 16.3176 -24.5786
45 O2a O 21.1491 -24.5786
46 O1a O 37.7443 -17.7165
47 O1a O 42.5058 -17.7165
48 O1a O 40.1251 -19.0469
49 C1b C 42.5058 -14.9156
50 O1a O 43.6962 -15.6158
51 O1a O 15.1272 -22.4780
52 C1a C 35.4336 -13.5852
53 C1y C 22.3395 -25.2788
54 C1y C 22.3395 -26.6093
55 C1y C 23.5299 -27.3095
56 C1y C 24.7202 -26.6093
57 C1y C 24.7202 -25.2788
58 O2x O 23.5299 -24.5786
59 O1a O 25.8406 -27.3095
60 C1a C 25.8406 -24.5786
61 O1a O 23.5299 -28.7099
62 O1a O 21.1491 -27.3095
63 C1y C 15.1272 -25.2788
64 O2x O 13.9369 -24.5786
65 C1y C 12.7465 -25.2788
66 C1y C 12.7465 -26.6093
67 C1y C 13.9369 -27.3095
68 C1y C 15.1272 -26.6093
69 O1a O 13.9369 -28.7099
70 C1a C 11.4861 -24.5786
71 O1a O 11.4861 -27.3095
72 O1a O 16.3176 -27.3095
BOND 80
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 2
24 17 20 1
25 2 21 1 #Up
26 22 21 1 #Up
27 22 23 1
28 23 24 1
29 24 25 1
30 25 26 1
31 26 27 1
32 22 27 1
33 24 28 1 #Up
34 26 29 1 #Up
35 5 30 1 #Up
36 12 31 1 #Up
37 20 32 1
38 19 33 1
39 33 34 1
40 34 35 1
41 35 36 1
42 36 37 1
43 38 37 1 #Down
44 38 39 1
45 39 40 1
46 40 41 1
47 41 42 1
48 42 43 1
49 38 43 1
50 25 44 1 #Down
51 27 45 1 #Down
52 39 46 1 #Up
53 41 47 1 #Up
54 40 48 1 #Down
55 42 49 1 #Down
56 49 50 1
57 28 51 1
58 35 52 1 #Up
59 53 45 1 #Down
60 53 54 1
61 54 55 1
62 55 56 1
63 56 57 1
64 57 58 1
65 53 58 1
66 56 59 1 #Down
67 57 60 1 #Up
68 55 61 1 #Up
69 54 62 1 #Up
70 63 44 1 #Up
71 63 64 1
72 64 65 1
73 65 66 1
74 66 67 1
75 67 68 1
76 63 68 1
77 67 69 1 #Down
78 65 70 1 #Down
79 66 71 1 #Up
80 68 72 1 #Down
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