ATOM 80
1 C1y C 19.2500 -13.1600
2 C1y C 19.2500 -14.5600
3 C1y C 20.3700 -15.1900
4 C1x C 21.5600 -14.5600
5 C1z C 21.5600 -13.1600
6 O2x O 20.3700 -12.5300
7 O2x O 22.7500 -13.8600
8 C1y C 23.9400 -13.1600
9 C1y C 23.9400 -11.8300
10 C1y C 22.7500 -11.1300
11 C1x C 21.5600 -11.8300
12 C1x C 25.2700 -13.5800
13 C1z C 26.0400 -12.5300
14 O2x O 25.2700 -11.4100
15 O2x O 26.8100 -13.5800
16 C1y C 28.0700 -13.1600
17 C1y C 28.0700 -11.8300
18 C1x C 26.8100 -11.4100
19 C1x C 29.2600 -13.8600
20 C1y C 30.4500 -13.1600
21 C1y C 30.4500 -11.8300
22 O2x O 29.2600 -11.1300
23 O2x O 31.6400 -13.8600
24 C1y C 32.8300 -13.1600
25 C1y C 32.8300 -11.8300
26 C1y C 31.6400 -11.1300
27 O7a O 34.0200 -11.1300
28 C7a C 35.1400 -11.8300
29 C1b C 36.3300 -11.1300
30 C1y C 37.4500 -11.8300
31 C1x C 38.6400 -11.1300
32 C1x C 39.7600 -11.8300
33 C1y C 39.7600 -13.1600
34 C1y C 38.5700 -13.8600
35 C1y C 38.5700 -15.1900
36 C1y C 39.7600 -15.8900
37 C1y C 40.9500 -15.1900
38 O2x O 40.9500 -13.8600
39 O2x O 37.3800 -15.8900
40 C1z C 37.3800 -17.2900
41 C1x C 38.5700 -17.9200
42 O2x O 39.7600 -17.2900
43 C1y C 40.6000 -17.9200
44 C1y C 42.1400 -15.8900
45 C1b C 36.1900 -17.9200
46 C1b C 36.1900 -19.3200
47 C1y C 35.0700 -19.9500
48 C1x C 35.0700 -21.3500
49 O2x O 33.8800 -19.3200
50 C1y C 32.6900 -20.0200
51 C1b C 31.5000 -19.3200
52 C2y C 32.6900 -21.3500
53 C1b C 31.5000 -17.9200
54 C1y C 32.6900 -17.2900
55 O2x O 32.6900 -15.8900
56 C1x C 33.8100 -17.9200
57 C1y C 35.0000 -17.2900
58 C2y C 35.0000 -15.8900
59 C1y C 33.8800 -15.1900
60 C1b C 33.8800 -13.8600
61 C2a C 36.0500 -15.1900
62 C1a C 20.3700 -16.5900
63 C1a C 22.7500 -9.8000
64 C1a C 31.6400 -9.8000
65 O6a O 35.1400 -13.1600
66 O2x O 37.4500 -13.1600
67 O2x O 38.5700 -16.5900
68 C2a C 31.7100 -22.2600
69 C1a C 35.7000 -18.4100
70 C1x C 18.0376 -12.4600
71 C1y C 16.8251 -13.1600
72 C1y C 16.8251 -14.5600
73 O2x O 18.0376 -15.2600
74 C1b C 15.5940 -15.2710
75 O1a O 15.5940 -12.4490
76 C5a C 14.3976 -14.5600
77 C1b C 13.1851 -15.2600
78 C1b C 11.9727 -14.5600
79 O1a O 10.7603 -15.2600
80 O5a O 14.4064 -13.3701
BOND 94
1 1 2 1
2 2 3 1
3 3 4 1
4 5 4 1 #Down
5 5 6 1 #Up
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 5 11 1
13 8 12 1
14 13 12 1 #Up
15 13 14 1 #Down
16 9 14 1
17 13 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 13 18 1
22 16 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 17 22 1
27 20 23 1
28 23 24 1
29 24 25 1
30 25 26 1
31 21 26 1
32 25 27 1
33 27 28 1
34 28 29 1
35 29 30 1
36 30 31 1
37 31 32 1
38 32 33 1
39 33 34 1
40 34 35 1
41 35 36 1
42 36 37 1
43 37 38 1
44 33 38 1
45 35 39 1
46 39 40 1
47 40 41 1
48 36 42 1
49 41 43 1
50 37 44 1
51 44 43 1
52 40 45 1
53 45 46 1
54 46 47 1
55 47 48 1
56 47 49 1
57 49 50 1
58 50 51 1
59 50 52 1
60 52 48 1
61 51 53 1
62 53 54 1
63 54 55 1
64 54 56 1
65 56 57 1
66 57 58 1
67 58 59 1
68 55 59 1
69 24 60 1
70 60 59 1
71 58 61 2
72 3 62 1 #Down
73 10 63 1 #Down
74 26 64 1 #Down
75 28 65 2
76 30 66 1
77 66 34 1
78 40 67 1 #Up
79 44 67 1 #Up
80 43 42 1
81 52 68 2
82 57 69 1 #Down
83 1 70 1
84 70 71 1
85 71 72 1
86 72 73 1
87 2 73 1
88 72 74 1 #Down
89 71 75 1 #Down
90 74 76 1
91 76 77 1
92 77 78 1
93 78 79 1
94 76 80 2
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