ATOM 84
1 C1y C 18.4100 -14.2100
2 C1x C 19.0400 -12.9500
3 C1x C 20.3000 -12.6700
4 C1y C 19.0400 -15.4700
5 C1y C 21.4900 -14.8400
6 O2x O 20.3700 -15.7500
7 C1z C 26.3200 -13.3700
8 O2x O 27.4400 -12.4600
9 C1y C 29.4700 -13.9300
10 C1y C 26.3200 -14.7000
11 C1x C 28.9100 -15.1900
12 C1x C 27.5100 -15.5400
13 C2x C 30.6600 -10.4300
14 C1y C 31.8500 -10.8500
15 C1y C 32.4800 -12.1800
16 O2x O 31.0100 -14.2100
17 C1y C 28.8400 -12.8100
18 C1y C 32.2000 -13.4400
19 C1x C 25.1300 -12.6700
20 C1z C 23.8700 -13.4400
21 C1y C 23.9400 -14.7700
22 O2x O 25.2000 -15.4700
23 O2x O 22.6800 -12.7400
24 C1y C 21.4200 -13.5100
25 C1x C 22.7500 -15.5400
26 C1b C 18.0600 -16.4500
27 C1c C 16.6600 -16.1000
28 C1b C 15.6800 -17.0800
29 C1y C 14.3500 -16.7300
30 C1x C 13.7900 -15.4000
31 C1y C 12.3900 -15.4700
32 C1y C 12.0400 -16.8700
33 O2x O 13.2300 -17.6400
34 C1c C 11.0600 -17.8500
35 C1b C 9.6600 -17.5000
36 C1x C 33.1800 -14.3500
37 C1y C 34.5800 -14.0000
38 C1z C 34.8600 -12.7400
39 O2x O 33.8800 -11.7600
40 O2x O 35.5600 -14.9100
41 C1y C 36.9600 -14.5600
42 C1y C 37.2400 -13.3000
43 C1y C 36.2600 -12.3200
44 C1x C 37.9400 -15.5400
45 C1z C 39.3400 -15.1200
46 C1y C 39.6200 -13.8600
47 O2x O 38.5700 -12.8800
48 O2x O 40.3200 -16.1000
49 C1y C 41.6500 -15.6800
50 C2y C 42.0000 -14.3500
51 C1x C 40.9500 -13.4400
52 C1b C 42.4200 -16.8700
53 C2c C 43.8200 -16.8700
54 C2b C 44.5200 -18.1300
55 C1c C 45.9200 -18.1300
56 C1b C 46.6200 -19.3900
57 O7a O 48.0200 -19.3900
58 C1a C 46.6200 -16.9400
59 C2a C 43.3300 -14.0000
60 C1a C 44.5200 -15.6800
61 C1a C 38.9200 -16.4500
62 O1a O 16.3100 -14.7700
63 C6a C 8.6800 -18.4800
64 O6a O 7.3500 -18.1300
65 O6a O 9.1000 -19.8800
66 C1a C 11.4100 -19.2500
67 C1a C 11.4800 -14.3500
68 O1a O 17.2200 -13.9300
69 C1a C 23.8700 -12.0400
70 C1a C 26.3200 -11.9700
71 C1a C 32.5500 -9.8000
72 C1a C 35.2100 -11.3400
73 O1a O 36.5400 -10.9200
74 C1x C 28.8400 -11.6200
75 C2x C 29.6100 -10.7100
76 C7a C 48.7200 -20.5800
77 C1b C 50.1200 -20.5800
78 O6a O 48.0200 -21.7700
79 C1c C 50.8200 -21.7700
80 C1b C 52.2200 -21.7700
81 C1a C 50.1200 -22.9600
82 C6a C 52.9200 -22.9824
83 O6a O 54.3198 -22.9824
84 O6a O 52.2296 -24.1779
BOND 93
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
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