ATOM 67
1 C1y C 27.0234 -16.4674
2 C1y C 28.1937 -15.7844
3 C1y C 25.8718 -15.7844
4 O7x O 27.0176 -17.7305
5 C1y C 28.1937 -14.4497
6 O7x O 29.3580 -16.5180
7 C1y C 25.8718 -14.4497
8 O7x O 23.7167 -16.8841
9 C7x C 26.0431 -18.4485
10 O2x O 27.0234 -13.7854
11 O7a O 29.3640 -13.7854
12 C7x C 29.3580 -17.8655
13 C1x C 24.7248 -13.7854
14 C7x C 23.7167 -18.3701
15 C8y C 26.0070 -19.7247
16 O6a O 24.9269 -17.8053
17 C7a C 30.5224 -13.1154
18 C8y C 30.5096 -18.5357
19 O6a O 28.1994 -18.5357
20 O7x O 23.6968 -14.6433
21 C8y C 22.5581 -19.0403
22 O6a O 24.8335 -19.0707
23 C8x C 24.8554 -20.4183
24 C8y C 27.1830 -20.3716
25 C8y C 31.6740 -13.7913
26 O6a O 30.5283 -11.7807
27 C8y C 30.5096 -19.8878
28 C8x C 31.6682 -17.8655
29 C7x C 22.5383 -13.9731
30 C8x C 22.5581 -20.3993
31 C8y C 21.4008 -18.3701
32 C8y C 24.8671 -21.7646
33 C8y C 27.1423 -21.7237
34 C8x C 31.6740 -15.1434
35 C8x C 32.8500 -13.1211
36 C8y C 31.6682 -20.5695
37 C8y C 32.8443 -18.5357
38 C8y C 21.4497 -14.5733
39 O6a O 22.5383 -12.6327
40 C8y C 21.4008 -21.0814
41 C8y C 20.2248 -19.0403
42 C8y C 26.0548 -22.4172
43 O1a O 23.7144 -22.4522
44 O1a O 28.3824 -22.3637
45 C8y C 32.8500 -15.8253
46 C8y C 34.0087 -13.7913
47 C8y C 32.8443 -19.8878
48 O1a O 31.6682 -21.9042
49 O1a O 34.0029 -17.8597
50 C8y C 21.4497 -15.9266
51 C8x C 20.2982 -13.9031
52 C8y C 20.2248 -20.3993
53 O1a O 21.4066 -22.4216
54 O1a O 18.9261 -19.0701
55 O1a O 26.0244 -23.9687
56 C8y C 33.9853 -15.0956
57 O1a O 32.8500 -17.1667
58 O1a O 35.1673 -13.1211
59 O1a O 34.0087 -20.5521
60 C8y C 20.2982 -16.6144
61 C8y C 19.1221 -14.5733
62 O1a O 19.0661 -21.0638
63 O1a O 35.1730 -15.8020
64 C8y C 19.1221 -15.9266
65 O1a O 20.2982 -17.9487
66 O1a O 17.9635 -13.8974
67 O1a O 17.9577 -16.5968
BOND 74
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1 #Up
13 8 14 1
14 9 15 1
15 9 16 2
16 11 17 1
17 12 18 1
18 12 19 2
19 13 20 1
20 14 21 1
21 14 22 2
22 15 23 1
23 15 24 2
24 17 25 1
25 17 26 2
26 18 27 1
27 18 28 2
28 20 29 1
29 21 30 1
30 21 31 2
31 23 32 2
32 24 33 1
33 25 34 2
34 25 35 1
35 27 36 2
36 28 37 1
37 29 38 1
38 29 39 2
39 30 40 2
40 31 41 1
41 32 42 1
42 32 43 1
43 33 44 1
44 34 45 1
45 35 46 2
46 36 47 1
47 36 48 1
48 37 49 1
49 38 50 1
50 38 51 2
51 40 52 1
52 40 53 1
53 41 54 1
54 42 55 1
55 45 56 2
56 45 57 1
57 46 58 1
58 47 59 1
59 50 60 2
60 51 61 1
61 52 62 1
62 56 63 1
63 60 64 1
64 60 65 1
65 61 66 1
66 64 67 1
67 7 10 1
68 33 42 2
69 37 47 2
70 41 52 2
71 46 56 1
72 61 64 2
73 50 31 1
74 24 27 1
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