ATOM 86
1 C8y C 18.7600 -21.3500
2 C8y C 19.8800 -20.6500
3 C8y C 17.5700 -20.7200
4 O1a O 18.7600 -22.6800
5 C8x C 19.8800 -19.3200
6 O2x O 21.0000 -21.3500
7 C8x C 17.5700 -19.3900
8 O2x O 16.3800 -21.4200
9 C8y C 18.6900 -18.6900
10 C8y C 22.1900 -20.6500
11 C8y C 15.1900 -20.7200
12 C1y C 18.6900 -16.5900
13 C8y C 22.1900 -19.3200
14 C8x C 23.3800 -21.3500
15 C8y C 14.0700 -21.4200
16 C8x C 15.1900 -19.4600
17 C5x C 19.7400 -15.9600
18 N1x N 17.4300 -16.0300
19 C8x C 23.3100 -18.6200
20 X Cl 21.0000 -18.6200
21 C8x C 24.5000 -20.6500
22 C8x C 12.9500 -20.7900
23 X Cl 14.0700 -22.7500
24 C8x C 14.0000 -18.7600
25 N1x N 20.9300 -16.5900
26 O5x O 19.7400 -14.5600
27 C5x C 16.3100 -16.6600
28 C8y C 24.5000 -19.3200
29 C8y C 12.9500 -19.4600
30 C1y C 22.0500 -15.9600
31 C1y C 15.1900 -16.1000
32 O5x O 16.3100 -18.0600
33 C1y C 25.6200 -18.5500
34 C1x C 11.6900 -18.7600
35 C8y C 22.0500 -14.5600
36 C5x C 23.2400 -16.5900
37 N1x N 14.0000 -16.7300
38 C1y C 25.6200 -16.5900
39 O1a O 26.8100 -19.2500
40 C1y C 11.6900 -16.7300
41 C8x C 23.2400 -13.9300
42 C8x C 20.8600 -13.9300
43 N1x N 24.4300 -15.9600
44 C5x C 12.8800 -16.1000
45 C5x C 26.7400 -15.8900
46 C8y C 23.2400 -12.6000
47 C8y C 20.8600 -12.6000
48 O5x O 12.8800 -14.7000
49 N1x N 26.7400 -14.5600
50 O5x O 28.0000 -16.5200
51 C8y C 22.0500 -11.9000
52 O1a O 22.0500 -10.5700
53 C8y C 15.1900 -14.7000
54 C8x C 16.3100 -14.0700
55 C8y C 16.3100 -12.6700
56 C8x C 15.1900 -12.0400
57 C8y C 14.0000 -12.6700
58 C8x C 14.0000 -14.0700
59 O1a O 17.4300 -12.0400
60 O5x O 23.2400 -17.9900
61 O2x O 12.8100 -12.0400
62 N1x N 10.5700 -16.1000
63 C5x C 9.3800 -16.7300
64 C1y C 8.1900 -16.1000
65 O5x O 9.3800 -18.1300
66 C8y C 8.1900 -14.7000
67 N1a N 7.0000 -16.7300
68 C8x C 9.3800 -14.0700
69 C8y C 9.3800 -12.6700
70 C8y C 8.1900 -12.0400
71 C8x C 7.0000 -12.6700
72 C8x C 7.0000 -14.0700
73 O1a O 8.1900 -10.7100
74 X Cl 19.7400 -11.9000
75 C1y C 27.9524 -13.8600
76 C6a C 29.1479 -14.5504
77 C8y C 27.9525 -12.4602
78 O6a O 30.3353 -13.8649
79 O6a O 29.1480 -15.9597
80 C8x C 29.1481 -11.7698
81 C8y C 29.1480 -10.3698
82 C8x C 27.9355 -9.6699
83 C8y C 26.7399 -10.3603
84 C8y C 26.7400 -11.7603
85 O1a O 25.5274 -9.6603
86 O1a O 30.3433 -9.6792
BOND 96
1 12 17 1
2 12 18 1 #Up
3 13 19 2
4 13 20 1
5 14 21 1
6 15 22 2
7 15 23 1
8 16 24 1
9 17 25 1
10 17 26 2
11 18 27 1
12 19 28 1
13 22 29 1
14 30 25 1 #Down
15 27 31 1
16 27 32 2
17 28 33 1
18 29 34 1
19 30 35 1
20 30 36 1
21 31 37 1 #Up
22 33 38 1
23 33 39 1 #Down
24 34 40 1
25 35 41 1
26 35 42 2
27 36 43 1
28 37 44 1
29 38 45 1
30 41 46 2
31 42 47 1
32 44 48 2
33 45 49 1
34 45 50 2
35 46 51 1
36 51 52 1
37 7 9 2
38 21 28 2
39 24 29 2
40 38 43 1 #Down
41 40 44 1
42 47 51 2
43 1 2 1
44 1 3 2
45 1 4 1
46 31 53 1
47 2 5 2
48 2 6 1
49 3 7 1
50 3 8 1
51 53 54 2
52 54 55 1
53 55 56 2
54 56 57 1
55 57 58 2
56 58 53 1
57 5 9 1
58 55 59 1
59 6 10 1
60 8 11 1
61 9 12 1
62 10 13 1
63 10 14 2
64 11 15 1
65 11 16 2
66 36 60 2
67 57 61 1
68 40 62 1 #Up
69 62 63 1
70 63 64 1
71 63 65 2
72 64 66 1
73 64 67 1 #Down
74 66 68 2
75 68 69 1
76 69 70 2
77 70 71 1
78 71 72 2
79 66 72 1
80 70 73 1
81 61 69 1
82 47 74 1
83 75 49 1 #Up
84 75 76 1
85 75 77 1
86 76 78 1
87 76 79 2
88 77 80 2
89 80 81 1
90 81 82 2
91 82 83 1
92 83 84 2
93 77 84 1
94 46 84 1
95 83 85 1
96 81 86 1
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