ATOM 105
1 C8y C 16.1700 -14.3500
2 C8x C 16.1700 -15.7500
3 C8y C 17.4300 -16.4500
4 C8y C 18.6200 -15.7500
5 C8y C 18.6200 -14.3500
6 C8x C 17.4300 -13.6500
7 C1y C 19.8100 -16.4500
8 C1y C 21.0000 -15.7500
9 C1y C 21.0000 -14.3500
10 O2x O 19.8100 -13.6500
11 O1a O 17.4300 -17.6400
12 O1a O 14.9800 -13.6500
13 C8y C 22.1200 -13.6500
14 C8y C 19.8100 -18.5500
15 C8y C 18.6200 -19.2500
16 C8x C 18.6200 -20.5800
17 C8y C 19.8100 -21.2800
18 C8y C 21.0000 -20.5800
19 C8y C 21.0000 -19.2500
20 O1a O 17.4300 -18.5500
21 C1y C 22.1200 -21.2800
22 C1y C 23.3100 -20.5800
23 C1y C 23.3100 -19.2500
24 O2x O 22.1200 -18.5500
25 C8x C 23.3100 -14.3500
26 C8y C 24.5000 -13.6500
27 C8y C 24.5000 -12.3200
28 C8x C 23.3100 -11.6900
29 C8x C 22.1200 -12.3900
30 O1a O 25.6900 -11.6200
31 O1a O 25.7600 -14.3500
32 O1a O 22.1200 -16.4500
33 O1a O 19.8100 -22.4700
34 C8y C 24.5700 -18.5500
35 O1a O 24.5700 -21.2800
36 C8x C 25.7600 -19.1800
37 C8y C 26.9500 -18.5500
38 C8y C 26.9500 -17.1500
39 C8x C 25.7600 -16.4500
40 C8x C 24.5700 -17.1500
41 O1a O 28.1400 -16.4500
42 O1a O 28.1400 -19.2500
43 C8y C 22.1200 -23.3100
44 C8y C 20.9300 -24.0100
45 C8x C 20.9300 -25.4100
46 C8y C 22.1200 -26.1100
47 C8y C 23.3800 -25.4100
48 C8y C 23.3800 -24.0100
49 C1y C 24.5700 -26.1100
50 C1y C 25.7600 -25.4100
51 C1y C 25.7600 -24.0100
52 O2x O 24.5700 -23.3100
53 O1a O 19.7400 -23.3800
54 O1a O 22.1200 -27.3000
55 C8y C 26.9500 -23.3100
56 O1a O 26.9500 -26.1100
57 C8x C 28.1400 -24.0100
58 C8y C 29.3300 -23.3100
59 C8y C 29.3300 -21.9100
60 C8x C 28.1400 -21.2800
61 C8x C 26.9500 -21.9800
62 O1a O 30.5900 -21.2100
63 O1a O 30.5900 -24.0100
64 C8y C 24.5700 -28.2100
65 C8y C 23.3800 -28.9100
66 C8x C 23.3800 -30.3100
67 C8y C 24.5700 -31.0100
68 C8y C 25.7600 -30.3100
69 C8y C 25.7600 -28.9100
70 O1a O 22.1900 -28.2100
71 O1a O 24.5700 -32.2000
72 C1y C 26.9500 -31.0100
73 C1y C 28.1400 -30.3100
74 C1y C 28.1400 -28.9100
75 O2x O 26.9500 -28.2100
76 C8y C 29.4000 -28.2100
77 C8x C 30.5900 -28.9100
78 C8y C 31.7800 -28.2100
79 C8y C 31.7800 -26.8100
80 C8x C 30.5900 -26.1100
81 C8x C 29.4000 -26.8100
82 O1a O 32.9700 -26.1100
83 O1a O 33.0400 -28.9100
84 O1a O 29.4000 -31.0100
85 C8y C 26.9500 -33.1800
86 C8y C 25.7376 -33.8800
87 C8y C 25.7376 -35.2800
88 C8y C 26.9500 -35.9800
89 C8x C 28.1624 -35.2800
90 C8y C 28.1624 -33.8800
91 C1x C 24.5251 -35.9800
92 C1y C 24.5251 -37.3800
93 C1y C 25.7376 -38.0800
94 O2x O 26.9500 -37.3800
95 O1a O 24.5421 -33.1896
96 O1a O 29.3579 -33.1896
97 C8y C 25.7376 -39.4798
98 O1a O 23.2940 -38.0910
99 C8x C 24.5420 -40.1703
100 C8y C 24.5422 -41.5703
101 C8y C 25.7547 -42.2701
102 C8x C 26.9502 -41.5797
103 C8x C 26.9501 -40.1797
104 O1a O 25.7548 -43.6800
105 O1a O 23.3468 -42.2610
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 87 91 1
104 91 92 1
105 92 93 1
106 93 94 1
107 88 94 1
108 86 95 1
109 90 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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