ATOM 80
1 C1y C 19.9110 -19.3707
2 C1y C 21.1054 -18.6816
3 C1y C 18.7165 -18.6816
4 O1a O 19.9110 -20.7488
5 C1y C 21.1054 -17.3034
6 O1a O 22.2997 -19.3707
7 C1x C 18.7165 -17.3034
8 O1a O 17.5222 -19.3707
9 O2x O 19.9110 -16.6144
10 O2a O 21.1054 -15.3281
11 C1y C 24.0913 -10.2749
12 O2x O 22.9429 -9.6318
13 O2a O 25.5154 -9.6777
14 C1y C 24.0913 -11.6990
15 C1y C 21.7485 -10.2749
16 C1b C 26.7558 -10.5505
17 C1y C 22.9429 -12.3881
18 O1a O 25.3317 -12.3881
19 C1y C 21.7485 -11.6990
20 C1b C 20.5081 -9.6318
21 C1c C 27.9043 -9.9074
22 O1a O 22.9429 -13.7662
23 O2a O 20.5081 -12.3881
24 O1a O 19.4976 -10.5046
25 C1c C 29.0527 -10.5505
26 N1b N 27.9043 -8.5752
27 C2b C 30.2012 -9.9074
28 O1a O 29.0527 -11.8828
29 C5a C 29.0068 -7.8861
30 C2b C 31.3496 -10.5505
31 O5a O 29.0068 -6.5998
32 R R 30.2012 -8.5752
33 C1b C 32.4980 -9.9074
34 C1b C 33.6465 -10.5505
35 C1b C 34.7950 -9.9074
36 C1b C 35.9434 -10.5505
37 C1b C 37.1379 -9.9074
38 C1b C 38.2404 -10.5505
39 C1b C 39.4348 -9.9074
40 C1b C 40.5832 -10.5505
41 C1b C 41.6858 -9.9074
42 C1b C 42.8801 -10.5505
43 C1b C 43.9827 -9.9074
44 C1b C 45.1770 -10.5505
45 C1a C 46.3255 -9.9074
46 C1y C 17.0169 -13.0771
47 C1y C 17.0169 -14.4093
48 O2x O 18.1653 -12.3881
49 C1b C 15.8224 -12.3881
50 C1y C 18.1653 -15.0984
51 O1a O 15.8224 -15.0984
52 C1y C 19.3597 -13.0771
53 O1a O 14.7659 -13.2149
54 C1y C 19.3597 -14.4093
55 O2a O 17.7060 -16.8900
56 C1y C 13.7552 -17.9007
57 C1y C 13.7552 -19.2788
58 O2x O 14.9497 -17.2116
59 C1b C 12.6068 -17.2116
60 C1y C 14.9497 -19.9219
61 O1a O 12.6068 -19.9219
62 C1y C 16.1440 -17.9007
63 O1a O 11.5502 -18.0844
64 C1y C 16.1440 -19.2788
65 O1a O 14.9497 -21.3001
66 O2a O 17.1547 -21.1622
67 C1y C 16.5575 -24.3780
68 C1y C 15.4549 -25.0670
69 C1y C 16.5575 -23.0458
70 N1b N 17.5681 -25.3886
71 C1y C 14.3065 -24.3780
72 O1a O 15.4549 -26.3074
73 O2x O 15.4549 -22.4026
74 C5a C 18.9003 -26.0777
75 C1y C 14.3065 -23.0458
76 O1a O 13.2039 -25.0670
77 C1a C 20.1407 -25.4345
78 O5a O 18.9003 -27.6855
79 C1b C 13.2039 -22.4026
80 O1a O 12.1934 -23.2295
BOND 84
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 5 9 1
9 5 10 1 #Up
10 7 9 1
11 11 12 1
12 11 13 1 #Up
13 11 14 1
14 12 15 1
15 13 16 1
16 14 17 1
17 14 18 1 #Down
18 15 19 1
19 15 20 1 #Up
20 16 21 1
21 17 22 1 #Up
22 19 23 1 #Down
23 20 24 1
24 21 25 1
25 21 26 1 #Down
26 25 27 1
27 25 28 1 #Up
28 26 29 1
29 27 30 2
30 29 31 2
31 29 32 1
32 30 33 1
33 33 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 38 39 1
39 39 40 1
40 40 41 1
41 41 42 1
42 42 43 1
43 43 44 1
44 44 45 1
45 17 19 1
46 46 47 1
47 46 48 1
48 46 49 1 #Up
49 47 50 1
50 47 51 1 #Down
51 48 52 1
52 49 53 1
53 50 54 1
54 50 55 1 #Up
55 52 23 1 #Up
56 54 10 1 #Up
57 52 54 1
58 56 57 1
59 56 58 1
60 56 59 1 #Up
61 57 60 1
62 57 61 1 #Down
63 58 62 1
64 59 63 1
65 60 64 1
66 60 65 1 #Up
67 62 55 1 #Down
68 64 66 1 #Up
69 62 64 1
70 67 68 1
71 67 69 1
72 67 70 1 #Down
73 68 71 1
74 68 72 1 #Up
75 69 73 1
76 69 66 1 #Up
77 70 74 1
78 71 75 1
79 71 76 1 #Down
80 74 77 1
81 74 78 2
82 75 79 1 #Up
83 79 80 1
84 73 75 1
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