ATOM 76
1 C1z C 18.4800 -20.7200
2 C1x C 19.1100 -19.3900
3 C1x C 20.4400 -19.1100
4 C1y C 19.1100 -21.9800
5 C1y C 21.6300 -21.3500
6 O2x O 20.5100 -22.2600
7 C1z C 26.4600 -19.8100
8 O2x O 27.5800 -18.9000
9 C1y C 29.6100 -20.4400
10 C1y C 26.4600 -21.2100
11 C1x C 29.0500 -21.7000
12 C1x C 27.6500 -22.0500
13 C2x C 30.8000 -16.8700
14 C1y C 31.9900 -17.2900
15 C1y C 32.6200 -18.6200
16 O2x O 31.1500 -20.7200
17 C1y C 28.9800 -19.2500
18 C1y C 32.3400 -19.8800
19 C1x C 25.2700 -19.1100
20 C1z C 24.0100 -19.8800
21 C1y C 24.0800 -21.2800
22 O2x O 25.3400 -21.9800
23 O2x O 22.8200 -19.1800
24 C1y C 21.5600 -19.9500
25 C1x C 22.8900 -22.0500
26 C1b C 18.1300 -22.9600
27 C1c C 16.7300 -22.6100
28 C1b C 15.7500 -23.5900
29 C1y C 14.4200 -23.2400
30 C1x C 13.8600 -21.9100
31 C1y C 12.4600 -21.9800
32 C1y C 12.1100 -23.3800
33 O2x O 13.3000 -24.1500
34 C1c C 11.1300 -24.3600
35 C1b C 9.7300 -24.0100
36 C1x C 33.3200 -20.8600
37 C1y C 34.7200 -20.5100
38 C1z C 35.0000 -19.1800
39 O2x O 34.0200 -18.2000
40 O2x O 35.7000 -21.4200
41 C1y C 37.1000 -21.0700
42 C1y C 37.3800 -19.7400
43 C1y C 36.4000 -18.7600
44 C1x C 38.0800 -22.0500
45 C1z C 39.4800 -21.6300
46 C1y C 39.7600 -20.3000
47 O2x O 38.7100 -19.3200
48 O2x O 40.4600 -22.6100
49 C1y C 41.7900 -22.1900
50 C2y C 42.1400 -20.8600
51 C1x C 41.0900 -19.8800
52 C1b C 42.5600 -23.3800
53 C2c C 43.9600 -23.3800
54 C2b C 44.6600 -24.6400
55 C1c C 46.0600 -24.6400
56 C1b C 46.7600 -25.9000
57 O1a O 48.1600 -25.9000
58 C1a C 46.7600 -23.4500
59 C2a C 43.4700 -20.5100
60 C1a C 44.6600 -22.1900
61 C1a C 39.0600 -22.9600
62 O1a O 16.3800 -21.2800
63 C6a C 8.7500 -24.9900
64 O6a O 7.4200 -24.6400
65 O6a O 9.1700 -26.3900
66 C1a C 11.4800 -25.7600
67 C1a C 11.5500 -20.8600
68 O1a O 17.2900 -20.4400
69 C1a C 24.0100 -18.4800
70 C1a C 26.4600 -18.4100
71 C1a C 32.6900 -16.2400
72 C1a C 35.3500 -17.7800
73 O1a O 36.6800 -17.3600
74 C1x C 28.9800 -18.0600
75 C2x C 29.7500 -17.1500
76 C1a C 18.1177 -19.3677
BOND 85
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 1 76 1 #Down
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