ATOM 122
1 C1y C 21.9253 -19.5161
2 C1y C 21.9253 -20.9238
3 C1y C 23.1219 -21.6277
4 C1y C 24.3888 -20.9238
5 C1y C 24.3888 -19.5161
6 O2x O 23.1219 -18.8123
7 O7a O 25.5853 -18.8123
8 C1b C 20.7288 -18.8123
9 O7a O 23.1219 -23.0354
10 O7a O 20.7288 -21.6277
11 O7a O 25.5853 -21.6277
12 O7a O 20.7288 -17.4046
13 C7a C 20.7288 -23.0354
14 C7a C 26.8523 -20.9238
15 C7a C 25.5853 -17.4046
16 C8y C 28.0488 -21.6277
17 O6a O 26.8523 -19.5161
18 C7a C 24.3888 -23.7392
19 C8y C 24.3888 -25.0061
20 O6a O 25.5853 -23.0354
21 C8x C 23.1923 -25.7100
22 C8y C 23.1923 -27.1177
23 C8y C 24.3888 -27.8215
24 C8y C 25.5853 -27.1177
25 C8x C 25.5853 -25.7100
26 O1a O 21.9957 -27.8215
27 O1a O 24.3888 -29.0180
28 O7a O 26.7819 -27.8215
29 C7a C 26.7819 -29.3700
30 C8y C 28.0488 -29.9330
31 O6a O 25.5853 -30.0738
32 C8x C 28.0488 -31.3407
33 C8y C 29.2453 -32.1853
34 C8y C 30.4419 -31.4815
35 C8y C 30.4419 -30.0738
36 C8x C 29.2453 -29.2292
37 O1a O 31.6384 -29.3700
38 O1a O 31.6384 -32.1853
39 O1a O 29.2453 -33.5930
40 C8x C 28.0488 -23.0354
41 C8y C 29.2453 -23.7392
42 C8y C 30.5123 -23.0354
43 C8y C 30.5123 -21.6277
44 C8x C 29.2453 -20.9238
45 O1a O 29.2453 -25.1469
46 O1a O 31.5680 -23.7392
47 O7a O 31.7088 -20.9238
48 C7a C 32.9757 -21.6277
49 C8y C 34.1723 -20.9238
50 O6a O 32.9757 -22.7538
51 C8x C 35.3688 -21.6277
52 C8y C 36.6357 -20.9238
53 C8y C 36.6357 -19.5161
54 C8y C 35.3688 -18.8123
55 C8x C 34.1723 -19.5161
56 O1a O 35.3688 -17.4046
57 O1a O 37.8323 -18.8123
58 O1a O 37.8323 -21.6277
59 C8y C 26.8523 -16.7007
60 O6a O 24.3888 -16.7007
61 C8x C 28.0488 -17.4046
62 C8y C 29.3157 -16.7007
63 C8y C 29.3157 -15.2931
64 C8y C 28.0488 -14.5892
65 C8x C 26.8523 -15.2931
66 O7a O 28.0488 -13.1815
67 O1a O 30.5123 -14.5892
68 O1a O 30.5123 -17.4046
69 C7a C 29.2453 -12.4777
70 O6a O 30.4419 -13.1815
71 C8y C 29.2453 -11.0700
72 C8x C 30.4419 -10.3661
73 C8y C 30.4419 -8.9584
74 C8y C 29.2453 -8.2546
75 C8y C 28.0488 -8.9584
76 C8x C 28.0488 -10.3661
77 O1a O 26.8523 -8.2546
78 O1a O 29.2453 -6.8469
79 O1a O 31.6384 -8.2546
80 C7a C 19.4619 -16.7007
81 C8y C 18.2654 -17.4046
82 O6a O 19.4619 -15.2931
83 C8x C 17.0688 -16.7007
84 C8y C 15.8019 -17.4046
85 C8y C 15.8019 -18.8123
86 C8y C 17.0688 -19.5161
87 C8x C 18.2654 -18.8123
88 O1a O 17.0688 -20.9238
89 O1a O 14.6054 -19.5161
90 O7a O 14.6054 -16.7007
91 C7a C 14.6054 -15.2931
92 C8y C 13.3384 -14.5892
93 O6a O 15.8019 -14.5892
94 C8x C 13.3384 -13.1815
95 C8y C 12.1419 -12.4777
96 C8y C 10.9454 -13.1815
97 C8y C 10.9454 -14.5892
98 C8x C 12.1419 -15.2931
99 O1a O 9.7488 -12.4777
100 O1a O 12.1419 -11.0700
101 O1a O 9.7488 -15.2931
102 C8y C 19.4619 -23.7392
103 O6a O 21.9253 -23.7392
104 C8x C 18.2654 -23.0354
105 C8y C 16.9984 -23.7392
106 C8y C 16.9984 -25.1469
107 C8y C 18.2654 -25.8507
108 C8x C 19.4619 -25.1469
109 O1a O 15.8019 -23.0354
110 O1a O 15.8019 -25.8507
111 O7a O 18.2654 -27.2584
112 C7a C 17.0688 -27.9623
113 O6a O 15.8723 -27.2584
114 C8y C 17.0688 -29.3700
115 C8x C 15.8723 -30.0738
116 C8y C 15.8723 -31.4815
117 C8y C 17.0688 -32.1853
118 C8y C 18.2654 -31.4815
119 C8x C 18.2654 -30.0738
120 O1a O 14.6757 -32.1853
121 O1a O 17.0688 -33.5930
122 O1a O 19.4619 -32.1853
BOND 132
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1 #Up
8 1 8 1 #Up
9 3 9 1 #Up
10 2 10 1 #Down
11 4 11 1 #Down
12 8 12 1
13 10 13 1
14 11 14 1
15 7 15 1
16 14 16 1
17 14 17 2
18 9 18 1
19 18 19 1
20 18 20 2
21 19 21 1
22 21 22 2
23 22 23 1
24 23 24 2
25 24 25 1
26 19 25 2
27 22 26 1
28 23 27 1
29 24 28 1
30 28 29 1
31 29 30 1
32 29 31 2
33 30 32 2
34 32 33 1
35 33 34 2
36 34 35 1
37 35 36 2
38 30 36 1
39 35 37 1
40 34 38 1
41 33 39 1
42 16 40 1
43 40 41 2
44 41 42 1
45 42 43 2
46 43 44 1
47 16 44 2
48 41 45 1
49 42 46 1
50 43 47 1
51 47 48 1
52 48 49 1
53 48 50 2
54 49 51 2
55 51 52 1
56 52 53 2
57 53 54 1
58 54 55 2
59 49 55 1
60 54 56 1
61 53 57 1
62 52 58 1
63 15 59 1
64 15 60 2
65 59 61 2
66 61 62 1
67 62 63 2
68 63 64 1
69 64 65 2
70 59 65 1
71 64 66 1
72 63 67 1
73 62 68 1
74 66 69 1
75 69 70 2
76 69 71 1
77 71 72 2
78 72 73 1
79 73 74 2
80 74 75 1
81 75 76 2
82 71 76 1
83 75 77 1
84 74 78 1
85 73 79 1
86 12 80 1
87 80 81 1
88 80 82 2
89 81 83 2
90 83 84 1
91 84 85 2
92 85 86 1
93 86 87 2
94 81 87 1
95 86 88 1
96 85 89 1
97 84 90 1
98 90 91 1
99 91 92 1
100 91 93 2
101 92 94 2
102 94 95 1
103 95 96 2
104 96 97 1
105 97 98 2
106 92 98 1
107 96 99 1
108 95 100 1
109 97 101 1
110 13 102 1
111 13 103 2
112 102 104 1
113 104 105 2
114 105 106 1
115 106 107 2
116 107 108 1
117 102 108 2
118 105 109 1
119 106 110 1
120 107 111 1
121 111 112 1
122 112 113 2
123 112 114 1
124 114 115 2
125 115 116 1
126 116 117 2
127 117 118 1
128 118 119 2
129 114 119 1
130 116 120 1
131 117 121 1
132 118 122 1
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