ATOM 71
1 C1y C 25.6202 -17.0062
2 O2x O 24.3865 -16.3175
3 C1y C 25.6549 -18.4149
4 C1y C 23.1711 -17.0652
5 C1y C 24.4431 -19.1495
6 O1a O 26.8870 -19.0897
7 C1y C 23.2009 -18.4698
8 C1b C 21.9380 -16.4004
9 O1a O 24.4607 -20.5642
10 O2a O 21.9995 -19.2156
11 O1a O 21.8933 -14.9687
12 C1y C 20.7509 -18.5206
13 C1y C 19.5458 -19.2415
14 O2x O 20.7448 -17.1093
15 C1y C 18.3074 -18.5399
16 O2a O 19.5499 -20.6542
17 C1y C 19.5438 -16.4045
18 O2a O 17.0848 -19.2495
19 C1y C 18.3148 -17.1094
20 C1y C 19.5862 -22.0586
21 C1b C 19.5138 -15.0108
22 C1y C 15.8499 -18.5420
23 O1a O 17.0830 -16.4197
24 O2x O 18.4433 -22.7854
25 C1y C 20.8853 -22.7466
26 O2x O 15.8459 -17.1294
27 C1y C 14.6396 -19.2549
28 C1y C 18.3860 -24.1869
29 C1y C 20.8292 -24.1538
30 O1a O 22.0334 -22.0148
31 C1x C 14.6162 -16.4228
32 C1y C 13.4144 -18.5543
33 O1a O 14.6415 -20.6723
34 C1y C 19.6131 -24.8648
35 C1b C 17.1631 -24.9019
36 O1a O 22.0509 -24.8531
37 C1y C 13.4594 -17.1394
38 O1a O 12.1894 -19.2749
39 O1a O 19.6377 -26.2795
40 O1a O 15.9399 -24.2120
41 O1a O 12.1747 -16.4458
42 O2a O 26.8339 -16.2752
43 C1x C 28.0661 -14.1721
44 C1y C 28.0661 -15.5561
45 C1x C 29.2798 -16.2482
46 C1x C 29.2798 -13.4659
47 C1z C 30.4795 -14.1721
48 C1y C 30.4664 -15.5561
49 C1x C 31.6742 -16.2533
50 C1x C 32.8881 -15.5736
51 C1y C 31.6792 -13.4783
52 C1y C 32.8881 -14.1783
53 C1x C 32.9039 -11.4037
54 C1x C 31.7047 -12.0768
55 C1z C 34.0988 -12.0966
56 C1y C 34.0968 -13.4962
57 C1x C 35.4179 -13.9374
58 C1y C 35.4256 -11.6868
59 C1y C 36.2359 -12.8187
60 C1y C 36.2559 -10.5645
61 C1y C 37.5725 -10.9981
62 N1y N 37.5634 -12.3927
63 C1x C 38.7583 -13.0944
64 C1y C 39.9768 -12.4086
65 C1x C 39.9859 -11.0141
66 C1x C 38.7907 -10.3125
67 C1a C 30.4670 -12.7741
68 C1a C 34.0893 -10.7122
69 C1a C 35.8829 -9.2082
70 C1a C 41.1717 -13.0988
71 O1a O 18.2864 -14.3369
BOND 80
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Down
6 4 7 1
7 4 8 1 #Up
8 5 9 1 #Up
9 7 10 1 #Up
10 8 11 1
11 1 42 1 #Up
12 12 10 1 #Up
13 12 13 1
14 12 14 1
15 13 15 1
16 13 16 1 #Down
17 14 17 1
18 15 18 1 #Up
19 15 19 1
20 20 16 1 #Up
21 17 21 1 #Up
22 22 18 1 #Up
23 19 23 1 #Down
24 20 24 1
25 20 25 1
26 22 26 1
27 22 27 1
28 24 28 1
29 25 29 1
30 25 30 1 #Down
31 26 31 1
32 27 32 1
33 27 33 1 #Down
34 28 34 1
35 28 35 1 #Up
36 29 36 1 #Up
37 31 37 1
38 32 38 1 #Up
39 34 39 1 #Down
40 35 40 1
41 37 41 1 #Down
42 5 7 1
43 17 19 1
44 29 34 1
45 32 37 1
46 48 49 1
47 49 50 1
48 50 52 1
49 51 47 1
50 51 52 1
51 52 56 1
52 55 53 1
53 53 54 1
54 54 51 1
55 55 56 1
56 56 57 1
57 57 59 1
58 58 55 1
59 47 67 1 #Up
60 43 44 1
61 44 45 1
62 58 59 1
63 55 68 1 #Up
64 59 62 1
65 61 60 1
66 60 58 1
67 60 69 1 #Down
68 45 48 1
69 47 46 1
70 64 70 1 #Down
71 46 43 1
72 61 62 1
73 62 63 1
74 63 64 1
75 64 65 1
76 65 66 1
77 66 61 1
78 47 48 1
79 44 42 1 #Up
80 21 71 1
| 
