ATOM 85
1 C1z C 12.8100 -30.5200
2 C1x C 13.4400 -29.2600
3 C1x C 14.7000 -28.9800
4 C1y C 13.4400 -31.7800
5 C1y C 15.8900 -31.1500
6 O2x O 14.7700 -32.0600
7 C1z C 20.7900 -29.6800
8 O2x O 21.9100 -28.7700
9 C1y C 23.9400 -30.2400
10 C1y C 20.7900 -31.0100
11 C1x C 23.3800 -31.5000
12 C1x C 21.9800 -31.8500
13 C2x C 25.1300 -26.7400
14 C1y C 26.3200 -27.1600
15 C1y C 26.9500 -28.4900
16 O2x O 25.4800 -30.5200
17 C1y C 23.3100 -29.1200
18 C1y C 26.6700 -29.7500
19 C1x C 19.6000 -28.9800
20 C1z C 18.3400 -29.7500
21 C1y C 18.4100 -31.0800
22 O2x O 19.6700 -31.7800
23 O2x O 17.1500 -29.0500
24 C1y C 15.8200 -29.8200
25 C1x C 17.2200 -31.8500
26 C1b C 12.4600 -32.7600
27 C1c C 11.0600 -32.4100
28 C1b C 10.0800 -33.3900
29 C1y C 8.7500 -33.0400
30 C1x C 8.1900 -31.7100
31 C1y C 6.7900 -31.7800
32 C1y C 6.4400 -33.1800
33 O2x O 7.6300 -33.9500
34 C1c C 5.4600 -34.1600
35 C1b C 4.0600 -33.8100
36 C1x C 27.6500 -30.6600
37 C1y C 29.0500 -30.3100
38 C1z C 29.3300 -29.0500
39 O2x O 28.3500 -28.0700
40 O2x O 30.0300 -31.2200
41 C1y C 31.5000 -30.8700
42 C1y C 31.7800 -29.6100
43 C1y C 30.8000 -28.6300
44 C1x C 32.4800 -31.8500
45 C1z C 33.8800 -31.4300
46 C1y C 34.1600 -30.1700
47 O2x O 33.1100 -29.1900
48 O2x O 34.8600 -32.4100
49 C1y C 36.1900 -31.9900
50 C2y C 36.5400 -30.6600
51 C1x C 35.4900 -29.7500
52 C1b C 36.9600 -33.1800
53 C2c C 38.3600 -33.1800
54 C2b C 39.0600 -34.4400
55 C1c C 40.4600 -34.4400
56 C1b C 41.1600 -35.7000
57 O7a O 42.5600 -35.7000
58 C1a C 41.1600 -33.2500
59 C2a C 37.8700 -30.3100
60 C1a C 39.0600 -31.9900
61 C1a C 33.4600 -32.7600
62 O1a O 10.7100 -31.0800
63 C6a C 3.0800 -34.7900
64 O6a O 1.7500 -34.4400
65 O6a O 3.5000 -36.1900
66 C1a C 5.8100 -35.5600
67 C1a C 5.8800 -30.6600
68 O1a O 11.6200 -30.2400
69 C1a C 18.3400 -28.3500
70 C1a C 20.7900 -28.2800
71 C1a C 27.0200 -26.1100
72 C1a C 29.6800 -27.6500
73 O1a O 31.0800 -27.2300
74 C1x C 23.3100 -27.9300
75 C2x C 24.0800 -27.0200
76 C7a C 43.2600 -36.8900
77 C1b C 44.6600 -36.8900
78 O6a O 42.5600 -38.1500
79 C1c C 45.4300 -38.1500
80 C1b C 46.8300 -38.1500
81 C1a C 44.6600 -39.3400
82 C6a C 47.5300 -39.3400
83 O6a O 48.9300 -39.3400
84 O6a O 46.8300 -40.5300
85 C1a C 12.4477 -29.1677
BOND 94
1 1 4 1
2 2 3 1
3 4 6 1
4 1 2 1
5 5 6 1
6 7 10 1
7 9 11 1
8 10 12 1
9 7 8 1
10 11 12 1
11 13 14 1
12 14 15 1
13 16 18 1
14 18 15 1
15 9 16 1
16 17 9 1
17 8 17 1
18 7 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 10 22 1
23 20 23 1
24 23 24 1
25 21 25 1
26 3 24 1
27 24 5 1
28 5 25 1
29 4 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 29 33 1
38 32 34 1
39 34 35 1
40 18 36 1
41 36 37 1
42 37 38 1
43 38 39 1
44 15 39 1
45 37 40 1
46 40 41 1
47 41 42 1
48 42 43 1
49 38 43 1
50 41 44 1
51 44 45 1
52 45 46 1
53 46 47 1
54 42 47 1
55 45 48 1
56 48 49 1
57 49 50 1
58 50 51 1
59 46 51 1
60 49 52 1
61 52 53 1
62 53 54 2
63 54 55 1
64 55 56 1
65 56 57 1
66 55 58 1 #Up
67 50 59 2
68 53 60 1
69 45 61 1 #Up
70 27 62 1 #Up
71 35 63 1
72 63 64 1
73 63 65 2
74 34 66 1 #Up
75 31 67 1 #Down
76 1 68 1 #Up
77 20 69 1 #Down
78 7 70 1 #Down
79 14 71 1 #Up
80 38 72 1 #Down
81 43 73 1 #Down
82 17 74 1
83 74 75 1
84 75 13 2
85 57 76 1
86 76 77 1
87 76 78 2
88 77 79 1
89 79 80 1
90 79 81 1 #Down
91 80 82 1
92 82 83 1
93 82 84 2
94 1 85 1 #Down
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