ATOM 105
1 C8y C 16.1719 -14.3774
2 C8x C 16.1719 -15.7676
3 C8y C 17.4231 -16.4627
4 C8y C 18.6048 -15.7676
5 C8y C 18.6048 -14.3774
6 C8x C 17.4231 -13.6823
7 C1y C 19.7864 -16.4627
8 C1y C 20.9681 -15.7676
9 C1y C 20.9681 -14.3774
10 O2x O 19.7864 -13.6823
11 O1a O 17.4231 -17.6444
12 O1a O 14.9902 -13.6823
13 C8y C 22.1498 -13.6823
14 C8y C 19.7864 -18.5480
15 C8y C 18.6048 -19.2431
16 C8x C 18.6048 -20.5638
17 C8y C 19.7864 -21.2589
18 C8y C 20.9681 -20.5638
19 C8y C 20.9681 -19.2431
20 O1a O 17.4231 -18.5480
21 C1y C 22.1498 -21.2589
22 C1y C 23.3315 -20.5638
23 C1y C 23.3315 -19.2431
24 O2x O 22.1498 -18.5480
25 C8x C 23.3315 -14.3774
26 C8y C 24.5132 -13.6823
27 C8y C 24.5132 -12.2921
28 C8x C 23.3315 -11.6665
29 C8x C 22.1498 -12.3616
30 O1a O 25.6948 -11.5970
31 O1a O 25.7643 -14.3774
32 O1a O 22.1498 -16.4627
33 O1a O 19.7864 -22.4406
34 C8y C 24.5827 -18.5480
35 O1a O 24.5827 -21.2589
36 C8x C 25.7643 -19.1736
37 C8y C 26.9460 -18.5480
38 C8y C 26.9460 -17.1578
39 C8x C 25.7643 -16.4627
40 C8x C 24.5827 -17.1578
41 O1a O 28.1277 -16.4627
42 O1a O 28.1277 -19.2431
43 C8y C 22.1498 -23.3442
44 C8y C 20.9459 -24.0393
45 C8x C 20.9459 -25.4295
46 C8y C 22.1498 -26.1246
47 C8y C 23.3537 -25.4295
48 C8y C 23.3537 -24.0393
49 C1y C 24.5577 -26.1246
50 C1y C 25.7617 -25.4295
51 C1y C 25.7617 -24.0393
52 O2x O 24.5577 -23.3442
53 O1a O 19.7587 -23.3537
54 O1a O 22.1498 -27.3063
55 C8y C 26.9677 -23.3430
56 O1a O 26.9677 -26.1258
57 C8x C 28.1558 -24.0292
58 C8y C 29.3598 -23.3342
59 C8y C 29.3599 -21.9440
60 C8x C 28.1718 -21.2579
61 C8x C 26.9678 -21.9528
62 O1a O 30.5737 -21.2433
63 O1a O 30.5823 -24.0402
64 C8y C 24.5577 -28.2097
65 C8y C 23.3725 -28.8942
66 C8x C 23.3727 -30.2844
67 C8y C 24.5768 -30.9793
68 C8y C 25.7620 -30.2948
69 C8y C 25.7618 -28.9046
70 O1a O 22.1946 -28.2142
71 O1a O 24.5769 -32.1720
72 C1y C 26.9660 -30.9897
73 C1y C 28.1699 -30.2945
74 C1y C 28.1697 -28.9043
75 O2x O 26.9656 -28.2093
76 C8y C 29.3937 -28.1971
77 C8x C 30.5921 -28.8886
78 C8y C 31.7959 -28.1932
79 C8y C 31.7955 -26.8030
80 C8x C 30.5971 -26.1115
81 C8x C 29.3933 -26.8069
82 O1a O 33.0040 -26.1048
83 O1a O 33.0192 -28.8990
84 O1a O 29.3946 -31.0016
85 C8y C 26.9662 -33.0756
86 C8y C 25.7473 -33.7796
87 C8x C 25.7475 -35.1698
88 C8y C 26.9516 -35.8647
89 C8y C 28.1705 -35.1607
90 C8y C 28.1703 -33.7705
91 C1x C 29.3746 -35.8555
92 C1y C 30.5784 -35.1602
93 C1y C 30.5781 -33.7700
94 O2x O 29.3741 -33.0752
95 O1a O 24.5523 -33.0899
96 O1a O 26.9518 -37.2463
97 C8y C 31.7683 -33.0824
98 O1a O 31.7693 -35.8476
99 C8x C 32.9499 -33.7643
100 C8y C 34.1537 -33.0690
101 C8y C 34.1535 -31.6788
102 C8x C 32.9721 -30.9969
103 C8x C 31.7681 -31.6922
104 O1a O 35.3705 -30.9757
105 O1a O 35.3766 -33.7749
BOND 119
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 3 11 1
13 1 12 1
14 9 13 1 #Down
15 7 14 1 #Up
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 15 20 1
23 18 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 19 24 1
28 13 25 2
29 25 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 13 29 1
34 27 30 1
35 26 31 1
36 8 32 1 #Down
37 17 33 1
38 23 34 1 #Down
39 22 35 1 #Down
40 34 36 2
41 36 37 1
42 37 38 2
43 38 39 1
44 39 40 2
45 34 40 1
46 38 41 1
47 37 42 1
48 21 43 1 #Up
49 43 44 2
50 44 45 1
51 45 46 2
52 46 47 1
53 47 48 2
54 43 48 1
55 47 49 1
56 49 50 1
57 50 51 1
58 51 52 1
59 48 52 1
60 44 53 1
61 46 54 1
62 51 55 1 #Down
63 50 56 1 #Down
64 55 57 2
65 57 58 1
66 58 59 2
67 59 60 1
68 60 61 2
69 55 61 1
70 59 62 1
71 58 63 1
72 49 64 1 #Up
73 64 65 2
74 65 66 1
75 66 67 2
76 67 68 1
77 68 69 2
78 64 69 1
79 65 70 1
80 67 71 1
81 68 72 1
82 72 73 1
83 73 74 1
84 74 75 1
85 69 75 1
86 74 76 1 #Down
87 76 77 2
88 77 78 1
89 78 79 2
90 79 80 1
91 80 81 2
92 76 81 1
93 79 82 1
94 78 83 1
95 73 84 1 #Down
96 72 85 1 #Up
97 85 86 2
98 86 87 1
99 87 88 2
100 88 89 1
101 89 90 2
102 85 90 1
103 89 91 1
104 91 92 1
105 92 93 1
106 93 94 1
107 90 94 1
108 86 95 1
109 88 96 1
110 93 97 1 #Down
111 92 98 1 #Up
112 97 99 2
113 99 100 1
114 100 101 2
115 101 102 1
116 102 103 2
117 97 103 1
118 101 104 1
119 100 105 1
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