ATOM 85
1 C1y C 16.3800 -22.8900
2 C1y C 16.3800 -24.2900
3 C1z C 17.5700 -24.9900
4 C1y C 18.8300 -24.2900
5 C1z C 18.8300 -22.8900
6 C1x C 17.5700 -22.1900
7 C1x C 20.0200 -24.9900
8 C1x C 21.2100 -24.2900
9 C1z C 21.2100 -22.8900
10 C1y C 20.0200 -22.1900
11 C1z C 22.4700 -22.1900
12 C2y C 22.4700 -20.7900
13 C2x C 21.2100 -20.0900
14 C1x C 20.0200 -20.7900
15 C1x C 23.6600 -22.8900
16 C1y C 24.8500 -22.1900
17 C1z C 24.8500 -20.7900
18 C1y C 23.6600 -20.0900
19 C1x C 26.1100 -20.0900
20 C1x C 26.1100 -18.6900
21 C1z C 24.8500 -17.9900
22 C1x C 23.6600 -18.6900
23 C7a C 26.0400 -21.4900
24 O7a O 27.2300 -20.7900
25 O6a O 26.0400 -22.8900
26 C1y C 28.4200 -21.4900
27 O2x O 28.4200 -22.8900
28 C1x C 29.6800 -23.5900
29 C1y C 30.8700 -22.8900
30 C1y C 30.8700 -21.4900
31 C1y C 29.6800 -20.7900
32 C1a C 18.8300 -21.4900
33 C1a C 22.4700 -23.5900
34 C1b C 18.4100 -25.6900
35 C1b C 16.7300 -25.6900
36 O1a O 18.4100 -27.0900
37 O1a O 16.7300 -27.0900
38 O1a O 15.1900 -22.1900
39 O2a O 15.1900 -24.9900
40 C1y C 14.0000 -24.2900
41 O2x O 14.0000 -22.8900
42 C1y C 12.7400 -22.1900
43 C1y C 11.5500 -22.8900
44 C1y C 11.5500 -24.2900
45 C1y C 12.7400 -24.9900
46 C1b C 12.7400 -20.7900
47 O1a O 11.5500 -20.0900
48 O1a O 10.3600 -22.1900
49 O1a O 10.3600 -24.9900
50 O1a O 12.7400 -26.3900
51 O2a O 29.6800 -19.3900
52 C1y C 30.9400 -18.6900
53 O2x O 32.1300 -19.4600
54 C1y C 33.3200 -18.7600
55 C1y C 33.3200 -17.3600
56 C1y C 32.1300 -16.6600
57 C1y C 30.9400 -17.2900
58 C1a C 34.5800 -19.4600
59 O2a O 34.5100 -16.6600
60 O1a O 29.7500 -16.5900
61 C1y C 35.7000 -17.3600
62 O2x O 35.7000 -18.7600
63 C1x C 36.9600 -19.4600
64 C1y C 38.1500 -18.7600
65 C1y C 38.1500 -17.3600
66 C1y C 36.9600 -16.6600
67 O1a O 36.9600 -15.2600
68 O2a O 39.3400 -16.6600
69 C1y C 40.5300 -17.3600
70 C1y C 40.9500 -18.6900
71 C1z C 42.4200 -18.6900
72 C1x C 42.8400 -17.3600
73 O2x O 41.7200 -16.5200
74 O1a O 40.2500 -19.9500
75 C1b C 43.6100 -19.3900
76 O1a O 44.8000 -18.6900
77 O1a O 42.0700 -20.0200
78 O1a O 32.1300 -15.2600
79 O1a O 32.0600 -20.7900
80 O1a O 32.0600 -23.5900
81 C1a C 25.6900 -16.8700
82 C1a C 23.9400 -16.9400
83 O1a O 24.8500 -23.5900
84 O1a O 39.3400 -19.4600
85 C1a C 21.2100 -21.9100
BOND 94
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 12 18 1
22 17 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 18 22 1
27 17 23 1 #Up
28 23 24 1
29 23 25 2
30 26 24 1 #Up
31 26 27 1
32 27 28 1
33 28 29 1
34 29 30 1
35 30 31 1
36 26 31 1
37 5 32 1 #Up
38 11 33 1 #Down
39 3 34 1
40 3 35 1
41 34 36 1
42 35 37 1
43 1 38 1 #Up
44 2 39 1 #Up
45 40 39 1 #Up
46 40 41 1
47 41 42 1
48 42 43 1
49 43 44 1
50 44 45 1
51 40 45 1
52 42 46 1 #Up
53 46 47 1
54 43 48 1 #Down
55 44 49 1 #Up
56 45 50 1 #Down
57 31 51 1 #Down
58 52 51 1 #Up
59 52 53 1
60 53 54 1
61 54 55 1
62 55 56 1
63 56 57 1
64 52 57 1
65 54 58 1 #Down
66 55 59 1 #Up
67 57 60 1 #Down
68 61 59 1 #Up
69 61 62 1
70 62 63 1
71 63 64 1
72 64 65 1
73 65 66 1
74 61 66 1
75 66 67 1 #Down
76 65 68 1 #Up
77 69 68 1 #Down
78 69 70 1
79 70 71 1
80 71 72 1
81 72 73 1
82 69 73 1
83 70 74 1 #Up
84 71 75 1
85 75 76 1
86 71 77 1 #Up
87 56 78 1 #Down
88 30 79 1 #Up
89 29 80 1 #Up
90 21 81 1
91 21 82 1
92 16 83 1 #Down
93 64 84 1 #Down
94 9 85 1 #Up
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