ATOM 83
1 C5x C 26.3200 -26.3200
2 C1x C 26.7400 -27.6500
3 C1x C 28.1400 -27.6500
4 C1y C 28.4900 -26.3200
5 N1x N 27.4400 -25.5500
6 C5a C 29.6800 -25.6900
7 N1y N 30.9400 -26.3200
8 C1x C 31.3600 -27.6500
9 C1x C 32.6900 -27.6500
10 C1x C 33.1100 -26.3200
11 C1y C 32.0600 -25.5500
12 O5x O 24.9900 -25.9000
13 O5a O 29.6800 -24.4300
14 C5a C 32.0600 -24.1500
15 N1b N 33.2500 -23.4500
16 O5a O 30.8700 -23.4500
17 C1c C 34.3700 -24.1500
18 C5a C 35.5600 -23.4500
19 N1b N 36.7500 -24.1500
20 C1b C 34.3700 -25.5500
21 O1a O 35.5600 -26.1800
22 O5a O 35.5600 -22.0500
23 C1c C 37.9400 -23.4500
24 C1b C 39.0600 -24.1500
25 C1b C 40.2500 -23.4500
26 C5a C 37.9400 -20.8600
27 C1b C 41.4400 -24.1500
28 C1b C 42.5600 -23.4500
29 N1a N 43.7500 -24.1500
30 N1b N 39.2700 -19.8100
31 C1c C 39.2700 -18.4100
32 C1b C 40.4600 -17.7800
33 C6a C 41.6500 -18.4100
34 O6a O 42.7700 -17.7800
35 O6a O 41.6500 -19.8100
36 C5a C 38.0800 -17.7100
37 N1b N 36.8900 -18.4100
38 C1c C 35.7000 -17.7800
39 C5a C 34.5800 -18.4100
40 N1b N 33.3900 -17.7800
41 O5a O 38.0800 -16.3800
42 C1a C 35.7000 -16.3800
43 O5a O 34.5800 -19.8100
44 C1c C 32.2000 -18.4100
45 C5a C 31.0100 -17.7800
46 C1b C 32.2000 -19.8100
47 O5a O 36.5400 -20.1600
48 C8y C 31.0100 -20.5100
49 C8x C 29.8900 -19.8100
50 C8x C 28.7000 -20.5100
51 C8x C 28.7000 -21.9100
52 C8x C 29.8200 -22.5400
53 C8x C 31.0100 -21.8400
54 N1b N 29.8900 -18.4100
55 O5a O 31.0100 -16.3800
56 C1c C 28.7000 -17.7800
57 C1c C 27.5100 -18.4100
58 C1b C 26.3900 -17.7800
59 C1a C 27.5100 -19.8100
60 C5a C 28.7000 -16.3800
61 N1b N 27.5100 -15.6800
62 O5a O 29.8900 -15.6800
63 C1b C 26.3900 -16.3800
64 C5a C 25.2000 -15.6800
65 N1b N 24.0100 -16.3800
66 C1c C 22.8200 -15.6800
67 C1b C 21.6300 -16.3800
68 O5a O 25.2000 -14.2800
69 C5a C 22.8200 -13.1600
70 O5a O 24.0100 -12.4600
71 N1b N 21.6300 -12.4600
72 C1c C 20.4400 -13.1600
73 C1b C 19.2500 -12.4600
74 C1b C 18.1300 -13.0900
75 S2a S 16.9400 -12.4600
76 C1a C 15.7500 -13.0900
77 C5a C 20.4400 -14.4900
78 N1a N 19.2500 -15.1900
79 O5a O 21.6300 -15.1900
80 C1c C 21.6300 -17.7100
81 C1a C 20.3700 -18.4100
82 C1a C 22.7500 -18.4100
83 C1a C 25.2000 -18.4100
BOND 85
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 1 #Down
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 7 11 1
13 1 12 2
14 6 13 2
15 11 14 1 #Down
16 14 15 1
17 14 16 2
18 15 17 1
19 17 18 1
20 18 19 1
21 17 20 1 #Down
22 20 21 1
23 18 22 2
24 19 23 1
25 23 24 1
26 24 25 1
27 23 26 1 #Down
28 25 27 1
29 27 28 1
30 28 29 1
31 26 30 1
32 31 30 1 #Down
33 31 32 1
34 32 33 1
35 33 34 1
36 33 35 2
37 31 36 1
38 36 37 1
39 37 38 1
40 38 39 1
41 39 40 1
42 36 41 2
43 38 42 1 #Down
44 39 43 2
45 40 44 1
46 44 45 1
47 44 46 1 #Up
48 26 47 2
49 46 48 1
50 48 49 2
51 49 50 1
52 50 51 2
53 51 52 1
54 52 53 2
55 48 53 1
56 45 54 1
57 45 55 2
58 54 56 1
59 56 57 1
60 57 58 1
61 57 59 1 #Up
62 56 60 1 #Up
63 60 61 1
64 60 62 2
65 61 63 1
66 63 64 1
67 64 65 1
68 65 66 1
69 66 67 1
70 64 68 2
71 66 69 1 #Up
72 69 70 2
73 69 71 1
74 71 72 1
75 72 73 1
76 73 74 1
77 74 75 1
78 75 76 1
79 72 77 1 #Down
80 77 78 1
81 77 79 2
82 67 80 1
83 80 81 1
84 80 82 1
85 58 83 1
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