ATOM 68
1 C7a C 20.5973 -27.3429
2 O7a O 19.5481 -27.9511
3 O6a O 20.5973 -26.1211
4 C1b C 18.3832 -27.2811
5 C1c C 17.2022 -27.9662
6 C1y C 16.0466 -27.3026
7 C1y C 16.0466 -25.9522
8 C1y C 14.7624 -25.5349
9 C1x C 13.9686 -26.6274
10 O2x O 14.7624 -27.7198
11 O1a O 14.3358 -24.2235
12 O7a O 17.1344 -25.1619
13 O7a O 17.2052 -30.0941
14 C7a C 17.1312 -23.8458
15 O6a O 15.9483 -23.1668
16 C7a C 18.3547 -30.7542
17 O6a O 18.3579 -32.0950
18 C1b C 18.3692 -23.1094
19 C1b C 19.5879 -23.8130
20 C1b C 20.8065 -23.1094
21 C1b C 22.0251 -23.8130
22 C1b C 23.2438 -23.1094
23 C1b C 24.4624 -23.8130
24 C1b C 25.6810 -23.1094
25 C1b C 26.8997 -23.8130
26 C1b C 28.1183 -23.1094
27 C1b C 29.3370 -23.8130
28 C1b C 30.5556 -23.1094
29 C1b C 31.7742 -23.8130
30 C1b C 32.9929 -23.1094
31 C1b C 34.2115 -23.8130
32 C1b C 35.4301 -23.1094
33 C1b C 36.6488 -23.8130
34 C1a C 37.8674 -23.1094
35 C1b C 21.8167 -28.0345
36 C1b C 23.0354 -27.3309
37 C1b C 24.2540 -28.0345
38 C1b C 25.4726 -27.3309
39 C1b C 26.6913 -28.0345
40 C1b C 27.9099 -27.3309
41 C1b C 29.1285 -28.0345
42 C1b C 30.3472 -27.3309
43 C1b C 31.5658 -28.0345
44 C1b C 32.7845 -27.3309
45 C1b C 34.0031 -28.0345
46 C1b C 35.2217 -27.3309
47 C1b C 36.4404 -28.0345
48 C1b C 37.6590 -27.3309
49 C1b C 38.8776 -28.0345
50 C1b C 40.0963 -27.3309
51 C1a C 41.3149 -28.0345
52 C1b C 19.5653 -30.0748
53 C1b C 20.7840 -30.7784
54 C1b C 22.0026 -30.0748
55 C1b C 23.2212 -30.7784
56 C1b C 24.4399 -30.0748
57 C1b C 25.6585 -30.7784
58 C1b C 26.8771 -30.0748
59 C1b C 28.0958 -30.7784
60 C1b C 29.3144 -30.0748
61 C1b C 30.5331 -30.7784
62 C1b C 31.7517 -30.0748
63 C1b C 32.9703 -30.7784
64 C1b C 34.1890 -30.0748
65 C1b C 35.4076 -30.7784
66 C1b C 36.6261 -30.0748
67 C1b C 37.8448 -30.7784
68 C1a C 39.0634 -30.0748
BOND 68
1 1 2 1
2 1 3 2
3 2 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 6 10 1
11 8 11 1 #Down
12 7 12 1 #Up
13 5 13 1 #Up
14 12 14 1
15 14 15 2
16 13 16 1
17 16 17 2
18 14 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 33 34 1
35 1 35 1
36 35 36 1
37 36 37 1
38 37 38 1
39 38 39 1
40 39 40 1
41 40 41 1
42 41 42 1
43 42 43 1
44 43 44 1
45 44 45 1
46 45 46 1
47 46 47 1
48 47 48 1
49 48 49 1
50 49 50 1
51 50 51 1
52 16 52 1
53 52 53 1
54 53 54 1
55 54 55 1
56 55 56 1
57 56 57 1
58 57 58 1
59 58 59 1
60 59 60 1
61 60 61 1
62 61 62 1
63 62 63 1
64 63 64 1
65 64 65 1
66 65 66 1
67 66 67 1
68 67 68 1
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