ATOM 81
1 C8y C 16.8700 -22.8200
2 C5a C 16.8700 -21.4200
3 C8y C 18.0600 -23.5200
4 C8x C 15.6800 -23.5200
5 N1b N 18.0600 -20.7200
6 O5a O 15.6100 -20.7200
7 C8y C 18.0600 -24.9200
8 O1a O 19.3200 -22.8200
9 C8y C 15.6800 -24.9200
10 C1y C 18.0600 -19.3200
11 C8x C 16.8700 -25.6200
12 O1a O 19.3200 -25.6200
13 C7x C 19.2500 -18.6200
14 C1x C 16.8700 -18.6200
15 O7x O 19.2500 -17.2200
16 O6a O 20.5100 -19.3200
17 O7x O 16.8700 -17.2200
18 C1x C 20.5100 -16.5200
19 C7x C 15.6100 -16.5200
20 C1y C 20.5100 -15.1200
21 C1y C 15.6100 -15.1200
22 O6a O 14.4200 -17.2200
23 N1b N 21.7000 -14.4200
24 C7x C 19.2500 -14.4200
25 N1b N 14.4200 -14.4200
26 C1x C 16.8700 -14.4200
27 C5a C 22.9600 -15.1200
28 O7x O 18.0600 -15.1200
29 O6a O 19.2500 -13.0200
30 C5a C 13.2300 -15.1200
31 C8y C 24.1500 -14.4200
32 O5a O 22.9600 -16.5200
33 C8y C 12.0400 -14.4200
34 O5a O 13.2300 -16.5200
35 C8y C 25.3400 -15.1200
36 C8x C 24.1500 -13.0200
37 C8y C 10.7800 -15.1200
38 C8x C 12.0400 -13.0200
39 C8y C 26.5300 -14.4200
40 O1a O 25.3400 -16.5200
41 C8y C 25.3400 -12.3200
42 C8y C 9.5900 -14.4200
43 O1a O 10.7800 -16.5200
44 C8y C 10.7800 -12.3200
45 C8x C 26.5300 -13.0200
46 O1a O 27.7900 -15.1200
47 C8x C 9.5900 -13.0200
48 O1a O 8.3300 -15.1200
49 C1y C 10.7800 -10.9200
50 O2x O 12.0400 -10.2200
51 C1y C 12.0400 -8.8200
52 C1y C 10.7800 -8.1200
53 C1y C 9.5900 -8.8200
54 C1y C 9.5900 -10.2200
55 O1a O 8.4000 -10.9200
56 O1a O 8.4000 -8.1200
57 O1a O 10.7800 -6.7200
58 C1b C 13.1600 -8.1200
59 O1a O 14.4200 -8.8200
60 C1y C 25.3400 -10.9200
61 O2x O 26.5300 -10.1500
62 C1y C 26.5300 -8.7500
63 C1y C 25.2700 -8.1200
64 C1y C 24.0800 -8.8200
65 C1y C 24.0800 -10.2200
66 O1a O 22.9600 -10.9200
67 O1a O 22.8900 -8.1200
68 O1a O 25.2000 -6.7200
69 C1b C 27.6500 -8.0500
70 O1a O 28.9100 -8.7500
71 C1y C 14.4200 -25.5500
72 O2x O 13.2300 -24.7800
73 C1y C 11.9700 -25.4100
74 C1y C 11.9700 -26.8800
75 C1y C 13.1600 -27.5800
76 C1y C 14.3500 -26.9500
77 O1a O 15.5400 -27.6500
78 O1a O 13.0900 -28.9800
79 O1a O 10.7100 -27.5100
80 C1b C 10.8500 -24.7100
81 O1a O 10.9200 -23.3100
BOND 87
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 4 9 1
9 10 5 1 #Up
10 7 11 1
11 7 12 1
12 10 13 1
13 10 14 1
14 13 15 1
15 13 16 2
16 14 17 1
17 15 18 1
18 17 19 1
19 18 20 1
20 19 21 1
21 19 22 2
22 20 23 1 #Up
23 20 24 1
24 21 25 1 #Up
25 21 26 1
26 23 27 1
27 24 28 1
28 24 29 2
29 25 30 1
30 27 31 1
31 27 32 2
32 30 33 1
33 30 34 2
34 31 35 2
35 31 36 1
36 33 37 1
37 33 38 2
38 35 39 1
39 35 40 1
40 36 41 2
41 37 42 2
42 37 43 1
43 38 44 1
44 39 45 2
45 39 46 1
46 42 47 1
47 42 48 1
48 9 11 2
49 26 28 1
50 41 45 1
51 44 47 2
52 49 44 1 #Up
53 49 50 1
54 50 51 1
55 51 52 1
56 52 53 1
57 53 54 1
58 49 54 1
59 54 55 1 #Down
60 53 56 1 #Up
61 52 57 1 #Down
62 51 58 1 #Up
63 58 59 1
64 60 41 1 #Up
65 60 61 1
66 61 62 1
67 62 63 1
68 63 64 1
69 64 65 1
70 60 65 1
71 65 66 1 #Down
72 64 67 1 #Up
73 63 68 1 #Down
74 62 69 1 #Up
75 69 70 1
76 71 9 1 #Up
77 71 72 1
78 72 73 1
79 73 74 1
80 74 75 1
81 75 76 1
82 71 76 1
83 76 77 1 #Down
84 75 78 1 #Up
85 74 79 1 #Down
86 73 80 1 #Up
87 80 81 1
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