ATOM 87
1 C1c C 26.5521 -15.0261
2 C1c C 27.8120 -15.6793
3 N1b N 26.5521 -13.6261
4 C1b C 25.3855 -15.7260
5 C2b C 28.9787 -14.9794
6 O1a O 27.8120 -17.0793
7 C5a C 27.7654 -12.8794
8 O2a O 24.1722 -15.0261
9 C2b C 30.2386 -15.6793
10 O5a O 27.7654 -11.4795
11 C1b C 28.9787 -13.5794
12 C1b C 31.4053 -14.9794
13 C1b C 32.7118 -15.6326
14 C1b C 33.9252 -14.9327
15 C1b C 35.1384 -15.6326
16 C1b C 36.3517 -14.8861
17 C1b C 37.5651 -15.5860
18 C1b C 38.7783 -14.8861
19 C1b C 39.9916 -15.5860
20 C1b C 41.2049 -14.8394
21 C1b C 42.4182 -15.5393
22 C1b C 43.6314 -14.8394
23 C1b C 44.8448 -15.5393
24 C1a C 46.0580 -14.7927
25 C1b C 30.1919 -12.8794
26 C1b C 31.4053 -13.5794
27 C1b C 32.6652 -12.8794
28 C1b C 33.8785 -13.5794
29 C1b C 35.0918 -12.8794
30 C1b C 36.3051 -13.5794
31 C1b C 37.5184 -12.8794
32 C1b C 38.7316 -13.5794
33 C1b C 39.9450 -12.8794
34 C1b C 41.1582 -13.5794
35 C1b C 42.3715 -12.8794
36 C1b C 43.5848 -13.5794
37 C1b C 44.7981 -12.8794
38 C1b C 46.0113 -13.5794
39 C1b C 47.2247 -12.8794
40 C1b C 48.4379 -13.5794
41 C1b C 49.6512 -12.8794
42 C1b C 50.8645 -13.5794
43 C1b C 52.0778 -12.8794
44 C1a C 53.2911 -13.5794
45 C1y C 20.5323 -15.7260
46 C1y C 20.5323 -17.1260
47 O2x O 21.7457 -15.0261
48 C1b C 19.3191 -15.0261
49 C1y C 21.7457 -17.8259
50 O1a O 19.3191 -17.8259
51 C1y C 22.9589 -15.7260
52 O2a O 18.2458 -15.9126
53 C1y C 22.9589 -17.1260
54 O1a O 21.7457 -19.2259
55 O1a O 24.1722 -17.8259
56 C1y C 14.6059 -16.6126
57 C1y C 14.6059 -18.0125
58 O2x O 15.8192 -15.9126
59 C1b C 13.3926 -15.9126
60 C1y C 15.8192 -18.7125
61 O2a O 13.3926 -18.7125
62 C1y C 17.0324 -16.6126
63 C1y C 17.0324 -18.0125
64 O1a O 15.8192 -20.1125
65 O1a O 18.2458 -18.7125
66 O2b O 12.3193 -16.5660
67 C1y C 9.7527 -19.4125
68 C1y C 9.7527 -20.8124
69 O2x O 10.9661 -18.7125
70 C1b C 8.5395 -18.7125
71 C1y C 10.9661 -21.5124
72 O1a O 8.5395 -21.5124
73 C1y C 12.1793 -19.4125
74 O1a O 7.4662 -19.5992
75 C1y C 12.1793 -20.8124
76 O1a O 10.9661 -22.9124
77 O1a O 13.3926 -21.5124
78 C1b C 7.6062 -16.5660
79 N1d N 6.1129 -17.4526 #+
80 C1b C 8.7262 -17.2193
81 C1a C 5.6463 -15.9593
82 C1a C 5.3663 -18.7592
83 C1a C 4.5263 -17.4526
84 O2b O 9.8461 -16.5660
85 P1b P 11.0594 -16.5660
86 O1c O 11.0594 -15.3060
87 O1c O 11.0594 -17.8259
BOND 89
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 4 8 1
8 5 9 2
9 7 10 2
10 7 11 1
11 9 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 11 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 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 45 46 1
45 45 47 1
46 45 48 1 #Up
47 46 49 1
48 46 50 1 #Up
49 47 51 1
50 48 52 1
51 49 53 1
52 49 54 1 #Up
53 51 8 1 #Up
54 53 55 1 #Down
55 51 53 1
56 56 57 1
57 56 58 1
58 56 59 1 #Up
59 57 60 1
60 57 61 1 #Up
61 58 62 1
62 60 63 1
63 60 64 1 #Up
64 62 52 1 #Up
65 63 65 1 #Down
66 62 63 1
67 59 66 1
68 67 68 1
69 67 69 1
70 67 70 1 #Up
71 68 71 1
72 68 72 1 #Down
73 69 73 1
74 70 74 1
75 71 75 1
76 71 76 1 #Up
77 73 61 1 #Down
78 75 77 1 #Up
79 73 75 1
80 78 79 1
81 78 80 1
82 79 81 1
83 79 82 1
84 79 83 1
85 80 84 1
86 84 85 1
87 85 66 1
88 85 86 1
89 85 87 2
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