ATOM 110
1 C1y C 33.3200 -29.1200
2 C1y C 29.5400 -16.4500
3 C8y C 37.9400 -15.8200
4 C8y C 36.7500 -16.5200
5 C8y C 39.1300 -16.4500
6 C8x C 36.7500 -17.9200
7 O2x O 35.5600 -15.8200
8 C8x C 39.1300 -17.8500
9 O2x O 40.3900 -15.7500
10 C8y C 38.0100 -18.5500
11 C8y C 34.3700 -16.5200
12 C8y C 41.5800 -16.4500
13 C1y C 38.0100 -20.7200
14 C8y C 34.3700 -17.9200
15 C8x C 33.1100 -15.8200
16 C8y C 42.7700 -15.7500
17 C8x C 41.5800 -17.7800
18 C5x C 36.8900 -21.4200
19 N1x N 39.2700 -21.3500
20 C8x C 33.1800 -18.6200
21 X Cl 35.5600 -18.6200
22 C8x C 31.9900 -16.5200
23 C8x C 43.9600 -16.3800
24 X Cl 42.7700 -14.3500
25 C8x C 42.8400 -18.4800
26 N1x N 35.6300 -20.7200
27 O5x O 36.8900 -22.8200
28 C5x C 40.4600 -20.6500
29 C8y C 31.9900 -17.9200
30 C8y C 43.9600 -17.7800
31 C1y C 34.5100 -21.4200
32 C1y C 41.6500 -21.2800
33 O5x O 40.4600 -19.2500
34 C1y C 30.8000 -18.6900
35 C1x C 45.2200 -18.4800
36 C8y C 34.5100 -22.8200
37 C5x C 33.2500 -20.7200
38 N1x N 42.8400 -20.5800
39 C1y C 30.8000 -20.7200
40 O2a O 29.5400 -17.9900
41 C1y C 45.2200 -20.5800
42 C8x C 33.2500 -23.5200
43 C8x C 35.7000 -23.5200
44 N1x N 32.0600 -21.4200
45 C5x C 44.0300 -21.2800
46 C5x C 29.6100 -21.4900
47 C8y C 33.2500 -24.9200
48 C8x C 35.7000 -24.9200
49 O5x O 44.0300 -22.6800
50 N1x N 29.6100 -22.8200
51 O5x O 28.3500 -20.7900
52 C8y C 32.0600 -25.6200
53 C8y C 34.5100 -25.6200
54 C1y C 30.8700 -23.5200
55 C8y C 30.8700 -24.9200
56 C8y C 32.0600 -27.0200
57 O1a O 34.5100 -27.0200
58 C6a C 28.5600 -24.9200
59 C8x C 29.7500 -25.6200
60 C8x C 30.9400 -27.7200
61 O2a O 33.3200 -27.7200
62 O6a O 27.1600 -24.9200
63 O6a O 28.5600 -26.3200
64 C8y C 29.7500 -27.0200
65 O1a O 28.4900 -27.7900
66 C8y C 41.6500 -22.6800
67 C8x C 40.4600 -23.3800
68 C8y C 40.4600 -24.7800
69 C8x C 41.6500 -25.4800
70 C8y C 42.8400 -24.7800
71 C8x C 42.8400 -23.3800
72 O1a O 39.2700 -25.4800
73 O5x O 33.2500 -19.3200
74 O2x O 44.0553 -25.4751
75 C8y C 44.0611 -26.8797
76 C8y C 42.8285 -27.5986
77 C8x C 42.8346 -28.9985
78 C8x C 44.0501 -29.6932
79 C8y C 45.2828 -28.9743
80 C8x C 45.2766 -27.5743
81 O1a O 41.6138 -26.9044
82 C1y C 46.5062 -29.6735
83 C5x C 47.6931 -28.9811
84 O5x O 48.8907 -29.6656
85 N1x N 47.6953 -21.2751
86 N1a N 46.5125 -31.0796
87 O2x O 30.7524 -15.7500
88 C1y C 30.7524 -14.3500
89 C1y C 29.5400 -13.6500
90 C1y C 28.3276 -14.3500
91 C1y C 28.3276 -15.7500
92 C1b C 31.9479 -13.6596
93 O1a O 27.1321 -13.6596
94 O1a O 29.5400 -12.2500
95 N1b N 27.1321 -16.4404
96 C5a C 27.1320 -17.8497
97 C1a C 25.9406 -18.5378
98 O5a O 28.3654 -18.5621
99 O1a O 33.1353 -14.3451
100 O1a O 37.9086 -14.4204
101 C1y C 32.1076 -29.8200
102 C1y C 32.1076 -31.2200
103 C1y C 33.3200 -31.9200
104 C1y C 34.5324 -31.2200
105 O2x O 34.5324 -29.8200
106 O1a O 30.9121 -29.1296
107 O1a O 30.9121 -31.9104
108 C1b C 35.7279 -31.9104
109 O1a O 33.3200 -33.3200
110 O1a O 36.9153 -31.2249
BOND 122
1 13 18 1
2 13 19 1 #Up
3 14 20 2
4 14 21 1
5 15 22 1
6 16 23 2
7 16 24 1
8 17 25 1
9 18 26 1
10 18 27 2
11 19 28 1
12 20 29 1
13 23 30 1
14 31 26 1 #Down
15 28 32 1
16 28 33 2
17 29 34 1
18 30 35 1
19 31 36 1
20 31 37 1
21 32 38 1 #Up
22 34 39 1
23 34 40 1 #Down
24 35 41 1
25 36 42 1
26 36 43 2
27 37 44 1
28 38 45 1
29 39 46 1
30 42 47 2
31 43 48 1
32 45 49 2
33 46 50 1
34 46 51 2
35 47 52 1
36 47 53 1
37 54 50 1
38 52 55 2
39 52 56 1
40 53 57 1
41 54 58 1 #Down
42 55 59 1
43 56 60 2
44 56 61 1
45 58 62 1
46 58 63 2
47 59 64 2
48 64 65 1
49 8 10 2
50 22 29 2
51 25 30 2
52 39 44 1 #Down
53 41 45 1
54 48 53 2
55 54 55 1
56 60 64 1
57 3 4 1
58 3 5 2
59 32 66 1
60 4 6 2
61 4 7 1
62 5 8 1
63 5 9 1
64 66 67 2
65 67 68 1
66 68 69 2
67 69 70 1
68 70 71 2
69 71 66 1
70 6 10 1
71 68 72 1
72 7 11 1
73 9 12 1
74 10 13 1
75 11 14 1
76 11 15 2
77 12 16 1
78 12 17 2
79 37 73 2
80 2 40 1 #Up
81 70 74 1
82 74 75 1
83 75 76 2
84 76 77 1
85 77 78 2
86 78 79 1
87 79 80 2
88 75 80 1
89 76 81 1
90 79 82 1
91 82 83 1
92 83 84 2
93 41 85 1 #Up
94 82 86 1 #Down
95 85 83 1
96 2 87 1
97 87 88 1
98 88 89 1
99 89 90 1
100 90 91 1
101 2 91 1
102 88 92 1 #Up
103 90 93 1 #Up
104 89 94 1 #Down
105 91 95 1 #Down
106 95 96 1
107 96 97 1
108 96 98 2
109 92 99 1
110 3 100 1
111 1 61 1 #Up
112 1 101 1
113 101 102 1
114 102 103 1
115 103 104 1
116 104 105 1
117 1 105 1
118 101 106 1 #Down
119 102 107 1 #Down
120 104 108 1 #Down
121 103 109 1 #Up
122 108 110 1
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