ATOM 69
1 C8x C 44.1026 -12.6477
2 C8x C 44.1026 -14.0498
3 C8y C 45.2943 -14.7509
4 C8y C 46.5562 -14.0498
5 C8y C 46.5562 -12.6477
6 C8y C 45.2943 -11.9467
7 C5x C 47.7479 -14.7509
8 C2y C 48.9397 -14.0498
9 C2y C 48.9397 -12.6477
10 C5x C 47.7479 -11.9467
11 C1y C 50.2015 -14.7509
12 C1x C 51.3934 -14.0498
13 C8y C 51.3934 -12.6477
14 C8y C 50.2015 -11.9467
15 O2a O 45.2943 -16.1529
16 O5x O 47.7479 -16.1529
17 O1a O 50.2015 -16.1529
18 C8x C 52.5850 -11.9467
19 C8y C 52.5850 -10.5445
20 C8x C 51.3934 -9.8435
21 C8y C 50.2015 -10.5445
22 O1a O 49.0097 -9.8435
23 C1a C 53.7768 -9.8435
24 O5x O 47.7484 -10.5703
25 C1y C 44.0913 -16.8474
26 O2x O 42.8898 -16.1535
27 C1y C 41.6792 -16.8523
28 C1y C 41.6791 -18.2502
29 C1y C 42.8803 -18.9440
30 C1x C 44.0911 -18.2452
31 C1a C 40.4500 -16.1424
32 O1a O 42.8799 -20.3329
33 O2a O 40.4620 -18.9528
34 C1y C 39.2516 -19.6517
35 O2x O 38.0555 -18.9606
36 C1y C 36.8449 -19.6592
37 C1y C 36.8445 -21.0568
38 C1y C 38.0405 -21.7478
39 C1x C 39.2512 -21.0493
40 C1a C 35.6158 -18.9494
41 O2a O 38.0399 -23.1237
42 O1a O 35.6410 -21.7510
43 O1a O 45.2771 -10.5450
44 C1y C 36.8178 -23.8289
45 O2x O 35.6063 -23.1290
46 C1y C 34.3964 -23.8271
47 C1y C 34.3961 -25.2240
48 C1x C 35.6077 -25.9239
49 C1x C 36.8175 -25.2257
50 C1a C 33.1680 -23.1178
51 O2a O 33.1851 -25.9228
52 C1y C 31.9747 -26.6216
53 O2x O 30.7404 -25.9088
54 C1y C 29.5300 -26.6074
55 C1y C 29.5298 -28.0050
56 C1y C 30.7640 -28.7178
57 C1x C 31.9745 -28.0192
58 C1a C 28.3013 -25.8974
59 O1a O 30.7638 -30.1102
60 O2a O 28.2932 -28.7189
61 C1y C 27.0829 -29.4177
62 O2x O 25.8484 -28.7047
63 C1y C 24.6379 -29.4034
64 C1y C 24.6378 -30.8010
65 C1y C 25.8723 -31.5139
66 C1x C 27.0827 -30.8153
67 C1a C 23.4093 -28.6934
68 O1a O 25.8721 -32.9055
69 O1a O 23.4019 -31.5145
BOND 77
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 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 2
16 9 14 1
17 3 15 1
18 7 16 2
19 11 17 1 #Up
20 13 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 14 21 1
25 21 22 1
26 19 23 1
27 10 24 2
28 25 15 1 #Up
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 25 30 1
35 27 31 1 #Up
36 29 32 1 #Up
37 28 33 1 #Down
38 34 33 1 #Up
39 34 35 1
40 35 36 1
41 36 37 1
42 37 38 1
43 38 39 1
44 34 39 1
45 36 40 1 #Up
46 38 41 1 #Up
47 37 42 1 #Down
48 6 43 1
49 44 41 1 #Up
50 44 45 1
51 45 46 1
52 46 47 1
53 47 48 1
54 48 49 1
55 44 49 1
56 46 50 1 #Down
57 47 51 1 #Down
58 52 51 1 #Up
59 52 53 1
60 53 54 1
61 54 55 1
62 55 56 1
63 56 57 1
64 52 57 1
65 54 58 1 #Up
66 56 59 1 #Up
67 55 60 1 #Down
68 61 60 1 #Up
69 61 62 1
70 62 63 1
71 63 64 1
72 64 65 1
73 65 66 1
74 61 66 1
75 63 67 1 #Up
76 65 68 1 #Up
77 64 69 1 #Down
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