ATOM 81
1 C1y C 17.5700 -34.2300
2 C1x C 16.4500 -35.1400
3 C1y C 15.1200 -34.7900
4 C1x C 14.4900 -33.5300
5 C1y C 17.5700 -32.8300
6 C1x C 15.1200 -32.2700
7 O2x O 16.4500 -31.9900
8 C1x C 18.7600 -32.1300
9 C1y C 20.0200 -32.8300
10 C1y C 20.0200 -34.2300
11 O2x O 18.7600 -34.9300
12 O2x O 21.2100 -32.1300
13 C1y C 22.4000 -32.8300
14 C1y C 22.4000 -34.2300
15 C1x C 21.2100 -34.9300
16 C1y C 24.8500 -32.8300
17 C1y C 24.8500 -34.2300
18 O2x O 23.6600 -34.9300
19 C2x C 22.9600 -31.5700
20 C2x C 24.1500 -31.5700
21 C1x C 25.8300 -35.2100
22 C2x C 27.2300 -35.2100
23 C2x C 28.2100 -34.2300
24 C1y C 28.2100 -32.8300
25 C1y C 27.0200 -31.8500
26 O2x O 25.8300 -31.8500
27 C1x C 27.0200 -30.7300
28 C2x C 28.2100 -30.0300
29 C2x C 29.4700 -30.7300
30 O2x O 29.4700 -32.1300
31 C1x C 30.6600 -30.0300
32 C1y C 31.9200 -30.7300
33 C1y C 31.9200 -32.1300
34 O2x O 33.1100 -30.0300
35 C1y C 34.3000 -30.7300
36 C1z C 34.3000 -32.1300
37 C1x C 35.5600 -30.0300
38 C1y C 36.7500 -30.7300
39 C1y C 36.7500 -32.1300
40 O2x O 35.5600 -32.8300
41 C1x C 37.7300 -33.1100
42 C1y C 39.1300 -33.1100
43 C1x C 40.1100 -32.1300
44 C1y C 40.1100 -30.7300
45 C1y C 38.9200 -29.7500
46 O2x O 37.7300 -29.7500
47 C1x C 38.9200 -28.6300
48 C1y C 40.1100 -27.9300
49 C1y C 41.3700 -28.6300
50 O2x O 41.3700 -30.0300
51 O2x O 40.1100 -26.5300
52 C1y C 42.5600 -26.5300
53 C1x C 42.5600 -27.9300
54 C1y C 40.6700 -25.3400
55 C1z C 42.1400 -25.3400
56 C1x C 39.9700 -24.0800
57 C1z C 40.6700 -22.8900
58 C1y C 42.1400 -22.8900
59 O2x O 42.8400 -24.0800
60 O2x O 39.9700 -21.7000
61 C1z C 40.6700 -20.4400
62 C1y C 42.1400 -20.4400
63 C1x C 39.9700 -19.2500
64 C1x C 40.6700 -18.0600
65 C1z C 42.1400 -18.0600
66 O2x O 42.8400 -19.2500
67 C1x C 43.3300 -22.5400
68 C1x C 43.3300 -21.0000
69 C1b C 43.3300 -17.3600
70 O1a O 44.5900 -18.0600
71 O1a O 42.1400 -16.6600
72 O1a O 14.2100 -35.9100
73 C1x C 32.4100 -33.3200
74 C1y C 33.8800 -33.3200
75 C1a C 32.9700 -32.0600
76 O1a O 34.6500 -34.4400
77 C1a C 39.6900 -34.3700
78 O1a O 43.9600 -26.2500
79 C1a C 39.2700 -22.8900
80 C1a C 39.2700 -20.4400
81 C1a C 43.4700 -24.9900
BOND 94
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 1 11 1
13 9 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 10 15 1
18 16 17 1
19 17 18 1
20 14 18 1
21 13 19 1
22 19 20 2
23 16 20 1
24 21 22 1
25 22 23 2
26 23 24 1
27 25 26 1
28 26 16 1
29 17 21 1
30 27 28 1
31 28 29 2
32 30 24 1
33 27 25 1
34 25 24 1
35 29 31 1
36 31 32 1
37 32 33 1
38 30 33 1
39 32 34 1
40 34 35 1
41 35 36 1
42 35 37 1
43 37 38 1
44 38 39 1
45 39 40 1
46 36 40 1
47 41 42 1
48 42 43 1
49 43 44 1
50 45 46 1
51 46 38 1
52 39 41 1
53 47 48 1
54 48 49 1
55 49 50 1
56 50 44 1
57 47 45 1
58 45 44 1
59 48 51 1
60 52 53 1
61 49 53 1
62 51 54 1
63 54 55 1
64 52 55 1
65 54 56 1
66 56 57 1
67 57 58 1
68 58 59 1
69 55 59 1
70 57 60 1
71 60 61 1
72 61 62 1
73 61 63 1
74 63 64 1
75 64 65 1
76 65 66 1
77 62 66 1
78 58 67 1
79 67 68 1
80 62 68 1
81 65 69 1
82 69 70 1
83 65 71 1 #Down
84 3 72 1 #Up
85 33 73 1
86 73 74 1
87 74 36 1
88 36 75 1 #Down
89 74 76 1 #Down
90 42 77 1 #Up
91 52 78 1 #Up
92 57 79 1 #Up
93 61 80 1 #Up
94 55 81 1 #Down
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