ATOM 98
1 C1y C 18.3939 -18.4233
2 O2x O 17.1157 -19.1028
3 C1y C 19.5870 -19.1154
4 C1y C 17.1835 -20.4932
5 C1y C 19.5779 -20.5056
6 O1a O 20.7824 -18.4299
7 C1y C 18.3766 -21.1910
8 C1b C 15.9998 -21.1787
9 O1a O 20.7711 -21.2093
10 O2a O 18.3803 -22.5685
11 O1a O 14.7878 -20.4868
12 C1y C 17.1650 -23.2611
13 C1y C 17.1442 -24.6444
14 O2x O 15.9846 -22.5433
15 C1y C 15.9239 -25.3054
16 O2a O 18.3187 -25.3610
17 C1y C 14.7762 -23.1925
18 O2a O 15.8903 -26.7014
19 C1y C 14.7365 -24.5758
20 C1y C 19.5188 -26.0471
21 C1b C 13.5959 -22.4946
22 C1y C 14.6632 -27.3625
23 O1a O 13.5226 -25.2496
24 O2x O 19.4966 -27.4304
25 C1y C 20.7143 -25.3735
26 O2x O 13.4887 -26.6459
27 C1y C 14.6365 -28.7400
28 C1y C 20.6783 -28.1412
29 C1y C 21.9075 -26.0899
30 O1a O 20.7352 -23.9831
31 C1y C 12.2675 -27.3125
32 C1y C 13.4323 -29.4038
33 O1a O 15.8297 -29.4624
34 C1y C 21.9436 -27.4617
35 C1b C 20.6504 -29.5245
36 O1a O 23.1159 -25.4163
37 C1y C 12.2390 -28.7000
38 C1b C 11.0872 -26.5902
39 O1a O 13.3985 -30.7942
40 O1a O 23.0668 -28.1654
41 O1a O 19.4491 -30.2042
42 O1a O 11.0365 -29.3610
43 C1y C 19.5366 -13.5491
44 C1y C 19.4957 -14.9300
45 O2x O 18.3294 -12.8711
46 C1y C 18.3888 -15.6459
47 O1a O 20.7748 -15.6001
48 C1y C 17.1415 -13.5936
49 O2a O 18.4069 -17.0334
50 C1y C 17.1672 -14.9686
51 C1b C 15.9295 -12.9185
52 O1a O 15.9873 -15.6795
53 O1a O 15.9053 -11.5347
54 C1z C 27.9405 -8.7421
55 C1y C 27.9276 -10.1137
56 C1y C 29.1436 -8.0727
57 C1x C 26.7492 -8.0353
58 C1a C 27.9276 -7.3589
59 C1y C 26.7246 -10.7959
60 C1x C 30.3232 -10.0811
61 C1y C 30.2908 -8.6980
62 C1y C 29.1436 -6.6825
63 C1x C 25.5449 -8.7235
64 C1y C 25.5391 -10.0949
65 C1x C 26.7246 -12.1862
66 O2x O 31.5333 -8.0727
67 C1z C 31.4819 -6.6252
68 C1a C 28.1699 -5.7244
69 C1z C 24.3476 -10.7843
70 C1x C 25.5391 -12.8686
71 C1b C 32.7434 -6.0032
72 O1a O 31.5333 -5.3311
73 C1y C 24.3476 -12.1675
74 C1x C 23.1563 -10.0949
75 C1a C 24.3290 -9.3998
76 C1b C 33.9218 -6.6825
77 C1x C 23.1563 -12.8626
78 C1y C 21.9591 -10.7843
79 C1c C 35.1133 -6.0006
80 C1y C 21.9591 -12.1675
81 O1a O 20.7550 -10.0890
82 C1b C 36.3046 -6.6766
83 C1a C 35.1133 -4.6213
84 O2a O 20.7550 -12.8626
85 O2a O 37.5018 -5.9771
86 C1y C 38.7060 -6.6578
87 O2x O 38.6873 -8.0353
88 C1y C 39.9103 -5.9947
89 C1y C 39.8670 -8.7362
90 C1y C 41.0887 -6.7012
91 O1a O 39.9289 -4.6213
92 C1y C 41.0642 -8.0597
93 C1b C 39.8353 -10.1195
94 O1a O 42.2800 -6.0419
95 O1a O 42.2497 -8.7738
96 O1a O 38.6101 -10.7899
97 O1a O 11.0529 -25.1941
98 O1a O 12.3750 -23.1827
BOND 108
1 44 47 1 #Down
2 45 48 1
3 46 49 1 #Up
4 46 50 1
5 48 51 1 #Up
6 50 52 1 #Down
7 51 53 1
8 48 50 1
9 12 10 1 #Up
10 12 13 1
11 12 14 1
12 13 15 1
13 13 16 1 #Down
14 14 17 1
15 15 18 1 #Up
16 15 19 1
17 20 16 1 #Up
18 17 21 1 #Up
19 22 18 1 #Up
20 19 23 1 #Down
21 20 24 1
22 20 25 1
23 22 26 1
24 22 27 1
25 24 28 1
26 25 29 1
27 25 30 1 #Down
28 26 31 1
29 27 32 1
30 27 33 1 #Down
31 28 34 1
32 28 35 1 #Up
33 29 36 1 #Up
34 31 37 1
35 31 38 1 #Up
36 32 39 1 #Up
37 34 40 1 #Down
38 35 41 1
39 37 42 1 #Down
40 5 7 1
41 17 19 1
42 29 34 1
43 32 37 1
44 1 2 1
45 1 3 1
46 2 4 1
47 3 5 1
48 3 6 1 #Down
49 4 7 1
50 4 8 1 #Up
51 5 9 1 #Up
52 7 10 1 #Up
53 8 11 1
54 43 44 1
55 54 55 1
56 54 56 1
57 54 57 1
58 54 58 1 #Up
59 55 59 1
60 55 60 1
61 56 61 1
62 56 62 1
63 57 63 1
64 59 64 1
65 59 65 1
66 61 66 1
67 62 67 1
68 62 68 1 #Down
69 64 69 1
70 65 70 1
71 67 71 1
72 67 72 1 #Down
73 69 73 1
74 69 74 1
75 69 75 1 #Up
76 71 76 1
77 73 77 1
78 74 78 1
79 76 79 1
80 77 80 1
81 78 81 1 #Down
82 79 82 1
83 79 83 1 #Up
84 80 84 1 #Up
85 82 85 1
86 86 85 1 #Up
87 86 87 1
88 86 88 1
89 87 89 1
90 88 90 1
91 88 91 1 #Down
92 89 92 1
93 89 93 1 #Up
94 90 94 1 #Up
95 92 95 1 #Down
96 60 61 1
97 63 64 1
98 66 67 1
99 70 73 1
100 78 80 1
101 90 92 1
102 43 84 1 #Up
103 1 49 1 #Up
104 93 96 1
105 43 45 1
106 44 46 1
107 38 97 1
108 21 98 1
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