ATOM 83
1 C1y C 28.1199 -23.1720
2 O2x O 28.1140 -24.5326
3 C1y C 29.2873 -22.4722
4 C1y C 29.3060 -25.1973
5 C1y C 30.5476 -23.1570
6 O1a O 29.2768 -21.1210
7 C1y C 30.4908 -24.5132
8 C1b C 29.3178 -26.5625
9 O1a O 31.6512 -22.4682
10 O1a O 31.6813 -25.1868
11 C1y C 23.3182 -23.0485
12 C1y C 24.5866 -22.4036
13 O2x O 23.3267 -24.4140
14 C1y C 25.6843 -23.1196
15 O1a O 24.6284 -21.0345
16 C1y C 24.4930 -25.1413
17 O2a O 26.9363 -22.4832
18 C1y C 25.7013 -24.4946
19 C1b C 24.4456 -26.4991
20 O1a O 26.8509 -25.2017
21 C1y C 19.5706 -19.6428
22 C1y C 19.5752 -20.9947
23 O2x O 18.3853 -18.9606
24 C1y C 18.3799 -21.6868
25 O2a O 20.7670 -21.6916
26 C1y C 17.2008 -19.6327
27 O2a O 18.3711 -23.0534
28 C1y C 17.1983 -20.9962
29 C1b C 16.0174 -18.9525
30 C1y C 17.1975 -23.7410
31 O1a O 16.0063 -21.6826
32 O1a O 16.0093 -17.5814
33 C1y C 17.2034 -25.0923
34 O2x O 16.0117 -23.0487
35 C1y C 16.0054 -25.7673
36 O1a O 18.3628 -25.7811
37 C1x C 14.8321 -23.7248
38 C1y C 14.8213 -25.0847
39 O1a O 16.0056 -27.1360
40 O1a O 13.6477 -25.7656
41 C1y C 24.3302 -16.9551
42 O2x O 23.1506 -16.2641
43 C1y C 24.3217 -18.3156
44 C1y C 21.9748 -16.9369
45 C1y C 23.1273 -18.9964
46 O1a O 25.4977 -19.0005
47 C1y C 21.9628 -18.3033
48 C1b C 20.8054 -16.2410
49 O1a O 23.1163 -20.3473
50 O2a O 20.7760 -18.9696
51 O1a O 20.8028 -14.8738
52 C1z C 32.6179 -12.2170
53 C1y C 33.8088 -11.5610
54 C1y C 32.5992 -13.5678
55 C1x C 31.4385 -11.5363
56 C1a C 32.6122 -10.8546
57 C1y C 34.9109 -12.2486
58 C1y C 33.8088 -10.1914
59 C1y C 31.4141 -14.2495
60 C1x C 34.9434 -13.5983
61 C1x C 30.2595 -12.1996
62 O2x O 36.1601 -11.5667
63 C1z C 36.1601 -10.1914
64 C1a C 32.8257 -9.2212
65 C1y C 30.2536 -13.5619
66 C1x C 31.4141 -15.6063
67 C1x C 37.3194 -10.8791
68 O2x O 36.1601 -8.8350
69 C1z C 29.0629 -14.2308
70 C1x C 30.2419 -16.2810
71 C1x C 38.5045 -10.2042
72 C1x C 37.3194 -8.1599
73 C1y C 29.0629 -15.5935
74 C1x C 27.8965 -13.5491
75 C1a C 29.0570 -12.8743
76 C1y C 38.5045 -8.8476
77 C1x C 27.8965 -16.2753
78 C1x C 26.7057 -14.2308
79 C1a C 39.6895 -8.1599
80 C1y C 26.7057 -15.5935
81 O2a O 25.5335 -16.2753
82 O1a O 23.2294 -27.1470
83 O1a O 28.1308 -27.2627
BOND 93
1 2 4 1
2 3 5 1
3 3 6 1 #Down
4 4 7 1
5 4 8 1 #Up
6 11 12 1
7 11 13 1
8 12 14 1
9 12 15 1 #Down
10 13 16 1
11 14 17 1 #Up
12 14 18 1
13 16 19 1 #Up
14 18 20 1 #Up
15 21 22 1
16 21 23 1
17 22 24 1
18 22 25 1 #Down
19 23 26 1
20 24 27 1 #Up
21 24 28 1
22 26 29 1 #Up
23 30 27 1 #Up
24 28 31 1 #Down
25 29 32 1
26 30 33 1
27 30 34 1
28 33 35 1
29 33 36 1 #Down
30 34 37 1
31 35 38 1
32 35 39 1 #Up
33 38 40 1 #Down
34 26 28 1
35 37 38 1
36 16 18 1
37 5 9 1 #Up
38 7 10 1 #Down
39 5 7 1
40 41 42 1
41 41 43 1
42 42 44 1
43 43 45 1
44 43 46 1 #Down
45 44 47 1
46 44 48 1 #Up
47 45 49 1 #Up
48 47 50 1 #Up
49 48 51 1
50 45 47 1
51 52 53 1
52 52 54 1
53 52 55 1
54 52 56 1 #Up
55 53 57 1
56 53 58 1
57 54 59 1
58 54 60 1
59 55 61 1
60 57 62 1
61 58 63 1
62 58 64 1 #Down
63 59 65 1
64 59 66 1
65 63 67 1
66 63 68 1 #Down
67 65 69 1
68 66 70 1
69 67 71 1
70 68 72 1
71 69 73 1
72 69 74 1
73 69 75 1 #Up
74 71 76 1
75 73 77 1
76 74 78 1
77 76 79 1 #Down
78 77 80 1
79 80 81 1 #Up
80 57 60 1
81 61 65 1
82 62 63 1
83 70 73 1
84 72 76 1
85 78 80 1
86 41 81 1 #Up
87 21 50 1 #Up
88 11 25 1 #Up
89 1 2 1
90 19 82 1
91 1 17 1 #Up
92 1 3 1
93 8 83 1
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