ATOM 72
1 C1y C 13.7659 -16.7140
2 C1y C 13.7874 -18.1091
3 O2x O 12.5487 -16.0251
4 O2a O 15.0048 -18.7982
5 C1y C 12.5758 -18.8197
6 C1x C 11.3451 -16.7332
7 C1y C 15.0104 -20.1978
8 C1y C 11.3588 -18.1306
9 O1a O 12.5917 -20.2248
10 C1y C 16.2296 -20.8946
11 O2x O 13.8040 -20.9110
12 O1a O 10.1522 -18.8439
13 C1y C 16.2455 -22.2999
14 O1a O 17.4465 -20.1871
15 C1y C 13.8067 -22.3154
16 C1y C 15.0288 -23.0075
17 O2a O 17.4598 -22.9940
18 C1a C 12.5979 -23.0209
19 O1a O 15.0366 -24.4149
20 C1z C 21.0511 -13.9363
21 C1z C 22.2634 -13.2486
22 C1y C 19.8448 -13.2310
23 C1x C 21.0511 -15.3349
24 C1a C 21.5933 -12.5959
25 C2y C 22.2751 -11.8499
26 C1x C 23.4522 -13.9537
27 C1a C 22.2458 -14.6414
28 C1z C 18.6267 -13.9246
29 C1x C 19.8564 -11.8323
30 C1x C 19.8331 -16.0343
31 C1y C 23.4872 -11.1679
32 C2x C 21.0745 -11.1389
33 C1x C 24.6703 -13.2777
34 C1y C 18.6210 -15.3232
35 C1x C 17.4146 -13.2253
36 C1a C 18.6150 -12.5200
37 C1z C 24.6819 -11.8849
38 C1x C 23.5047 -9.7752
39 C1z C 17.4146 -16.0285
40 C1x C 16.1965 -13.9246
41 C1x C 25.9000 -11.2029
42 C7a C 25.8883 -12.5783
43 C1z C 24.7227 -9.0991
44 C1y C 16.1965 -15.3232
45 C1x C 25.8475 -9.8101
46 O7a O 27.1004 -11.8732
47 O6a O 25.8824 -13.9771
48 C1a C 25.4163 -7.8811
49 C1a C 24.0117 -7.8811
50 O2a O 14.9843 -16.0285
51 C1a C 16.7146 -17.4509
52 C1a C 18.1146 -17.4509
53 C1y C 28.3128 -12.5732
54 C1y C 17.4598 -24.3940
55 O2x O 16.2405 -25.0983
56 C1x C 16.2407 -26.4983
57 C1y C 17.4533 -27.1980
58 C1y C 18.6726 -26.4938
59 C1y C 18.6723 -25.0938
60 O2x O 28.3134 -13.9996
61 C1y C 29.5262 -14.6991
62 C1y C 30.7383 -13.9985
63 C1y C 30.7377 -12.5721
64 C1y C 29.5249 -11.8727
65 C1b C 29.5268 -16.0999
66 O1a O 31.9320 -11.8822
67 O1a O 19.9126 -24.3779
68 O1a O 19.8832 -27.1923
69 O1a O 17.4541 -28.6298
70 O1a O 29.5246 -10.5001
71 O1a O 31.9454 -14.6948
72 O1a O 30.7392 -16.7999
BOND 80
1 13 17 1 #Down
2 15 18 1 #Down
3 16 19 1 #Up
4 6 8 1
5 15 16 1
6 1 2 1
7 1 3 1
8 2 4 1 #Down
9 2 5 1
10 3 6 1
11 7 4 1 #Up
12 5 8 1
13 5 9 1 #Up
14 7 10 1
15 7 11 1
16 8 12 1 #Up
17 10 13 1
18 10 14 1 #Down
19 11 15 1
20 13 16 1
21 20 21 1
22 20 22 1
23 20 23 1
24 20 24 1 #Up
25 21 25 1
26 21 26 1
27 21 27 1 #Down
28 22 28 1
29 22 29 1
30 23 30 1
31 25 31 1
32 25 32 2
33 26 33 1
34 28 34 1
35 28 35 1
36 28 36 1 #Up
37 31 37 1
38 31 38 1
39 34 39 1
40 35 40 1
41 37 41 1
42 37 42 1 #Up
43 38 43 1
44 39 44 1
45 41 45 1
46 42 46 1
47 42 47 2
48 43 48 1
49 43 49 1
50 44 50 1 #Up
51 29 32 1
52 30 34 1
53 33 37 1
54 40 44 1
55 43 45 1
56 1 50 1 #Up
57 39 51 1
58 39 52 1
59 53 46 1 #Up
60 54 17 1 #Up
61 54 55 1
62 55 56 1
63 56 57 1
64 57 58 1
65 58 59 1
66 54 59 1
67 53 60 1
68 60 61 1
69 61 62 1
70 62 63 1
71 63 64 1
72 53 64 1
73 61 65 1 #Up
74 63 66 1 #Up
75 59 67 1 #Down
76 58 68 1 #Down
77 57 69 1 #Down
78 64 70 1 #Down
79 62 71 1 #Down
80 65 72 1
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