ATOM 94
1 C1x C 19.3200 -23.8700
2 C1x C 20.7200 -23.8700
3 C1y C 21.1400 -22.5400
4 N1y N 20.0200 -21.7000
5 C1x C 18.9000 -22.5400
6 C5a C 22.3300 -21.8400
7 N1b N 23.5200 -22.5400
8 C1b C 24.7100 -21.8400
9 C5a C 25.9000 -22.5400
10 N1b N 27.1600 -21.8400
11 C1c C 28.3500 -22.5400
12 C5a C 29.4700 -21.8400
13 N1b N 30.7300 -22.5400
14 O5a O 22.3300 -20.4400
15 C1b C 28.3500 -24.7100
16 O5a O 29.4700 -20.5800
17 C1c C 31.9200 -21.8400
18 C5a C 33.1100 -22.5400
19 O5a O 34.3000 -21.8400
20 N1y N 33.1100 -23.9400
21 C1x C 31.9900 -24.7100
22 C1x C 32.4100 -26.0400
23 C1x C 33.8100 -26.0400
24 C1y C 34.3000 -24.7100
25 C1b C 31.9200 -20.4400
26 O1a O 30.7300 -19.7400
27 C8y C 27.1600 -25.4100
28 C8x C 25.9700 -24.6400
29 C8x C 24.7100 -25.3400
30 C8x C 24.7100 -26.7400
31 C8x C 25.9000 -27.4400
32 C8x C 27.1600 -26.7400
33 O5a O 25.9000 -23.9400
34 C5a C 20.0200 -19.5300
35 O5a O 21.2100 -18.8300
36 C1y C 18.1300 -18.9700
37 C1x C 17.6400 -17.7100
38 C1x C 16.3100 -17.7100
39 C1x C 15.8900 -18.9700
40 N1y N 17.0100 -19.8100
41 C5a C 17.0100 -21.2100
42 C1c C 15.8900 -21.9100
43 O5a O 18.2000 -21.9100
44 C1b C 14.7000 -21.2100
45 C1b C 13.5100 -21.9100
46 C1b C 12.3200 -21.2100
47 N1b N 11.1300 -21.9100
48 C2c C 10.0100 -21.2100
49 N1a N 8.8200 -21.9100
50 N2a N 10.0100 -19.8100
51 N1b N 15.8900 -23.3100
52 C5a C 14.6300 -24.0100
53 O5a O 13.4400 -23.3100
54 C1c C 14.6300 -25.3400
55 N1b N 13.4400 -26.0400
56 C1c C 15.8200 -26.0400
57 C1a C 16.9400 -25.3400
58 C5a C 12.2500 -25.3400
59 C1c C 11.0600 -26.0400
60 O1a O 15.8200 -27.4400
61 O5a O 12.2500 -24.0100
62 C1b C 9.9400 -25.3400
63 C1b C 8.7500 -26.0400
64 C1b C 7.5600 -25.3400
65 N1b N 6.3700 -26.0400
66 C2c C 5.1800 -25.3400
67 N1a N 11.0600 -27.4400
68 N1a N 4.0600 -26.0400
69 N2a N 5.1800 -24.0100
70 C5a C 35.4200 -24.0800
71 N1b N 36.6800 -24.7100
72 C1c C 37.8700 -24.0800
73 C5a C 39.0600 -24.7100
74 N1b N 40.3200 -24.0800
75 C1c C 41.4400 -24.7100
76 C1b C 42.6300 -24.0800
77 C1b C 43.8900 -24.7100
78 O5a O 35.4200 -22.6800
79 C1b C 37.8700 -22.6800
80 C6a C 41.4400 -26.1100
81 C1b C 45.0800 -24.0800
82 N1b N 46.2700 -24.7100
83 C2c C 47.4600 -24.0800
84 N1a N 48.5800 -24.7100
85 N2a N 47.4600 -22.6800
86 O6a O 42.6300 -26.8100
87 O6a O 40.3200 -26.8100
88 C8y C 39.0600 -21.9800
89 C8x C 40.2500 -22.6800
90 C8x C 41.4400 -21.9800
91 C8x C 41.4400 -20.5800
92 C8x C 40.3200 -19.8800
93 C8x C 39.0600 -20.5800
94 O5a O 39.0600 -25.9700
BOND 98
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 3 6 1 #Down
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 6 14 2
15 11 15 1 #Down
16 12 16 2
17 13 17 1
18 17 18 1
19 18 19 2
20 18 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 20 24 1
26 17 25 1 #Up
27 25 26 1
28 15 27 1
29 27 28 2
30 28 29 1
31 29 30 2
32 30 31 1
33 31 32 2
34 27 32 1
35 9 33 2
36 4 34 1
37 34 35 2
38 36 34 1 #Up
39 36 37 1
40 37 38 1
41 38 39 1
42 39 40 1
43 36 40 1
44 40 41 1
45 41 42 1
46 41 43 2
47 42 44 1
48 44 45 1
49 45 46 1
50 46 47 1
51 47 48 1
52 48 49 1
53 48 50 2
54 42 51 1 #Up
55 51 52 1
56 52 53 2
57 52 54 1
58 54 55 1 #Down
59 54 56 1
60 56 57 1
61 55 58 1
62 58 59 1
63 56 60 1 #Down
64 58 61 2
65 59 62 1
66 62 63 1
67 63 64 1
68 64 65 1
69 65 66 1
70 59 67 1 #Up
71 66 68 1
72 66 69 2
73 24 70 1 #Down
74 70 71 1
75 71 72 1
76 72 73 1
77 73 74 1
78 74 75 1
79 75 76 1
80 76 77 1
81 70 78 2
82 72 79 1 #Up
83 75 80 1 #Up
84 77 81 1
85 81 82 1
86 82 83 1
87 83 84 1
88 83 85 2
89 80 86 2
90 80 87 1
91 79 88 1
92 88 89 2
93 89 90 1
94 90 91 2
95 91 92 1
96 92 93 2
97 88 93 1
98 73 94 2
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