ATOM 47
1 C1y C 28.2100 -15.4000
2 O2a O 29.5400 -16.1000
3 C1y C 27.0200 -16.1000
4 C1y C 28.2100 -14.0000
5 C1y C 30.8000 -16.8700
6 C1y C 25.7600 -15.4000
7 O1a O 27.0200 -17.5000
8 O2x O 27.0200 -13.3000
9 O2a O 29.4000 -13.3000
10 O2x O 30.8000 -18.2700
11 C1y C 31.9900 -16.1700
12 C1y C 25.7600 -14.0000
13 O1a O 24.5700 -16.1000
14 C1y C 31.9900 -18.9700
15 C1y C 33.2500 -16.8700
16 O1a O 32.0600 -14.7700
17 C1b C 24.5700 -13.3000
18 C1y C 33.1800 -18.2700
19 C1b C 31.9900 -20.3700
20 O1a O 34.4400 -16.1700
21 O1a O 23.3800 -14.0000
22 O1a O 34.4400 -18.9700
23 O1a O 30.8000 -21.0000
24 C1b C 30.5900 -11.2000
25 C1b C 31.7800 -10.5000
26 C1b C 33.0400 -11.2000
27 C1b C 34.2300 -10.5000
28 C1b C 35.4200 -11.2000
29 C1b C 36.6800 -10.5000
30 C1b C 37.8700 -11.2000
31 C1b C 39.0600 -10.5000
32 C1b C 40.3200 -11.2000
33 C1b C 41.5100 -10.5000
34 C1b C 42.7000 -11.2000
35 C6a C 43.9600 -10.5000
36 C1c C 30.5900 -12.6000
37 C1b C 31.8500 -13.3000
38 C1b C 33.0400 -12.6000
39 C1b C 34.2300 -13.3000
40 C1b C 35.4900 -12.6000
41 C1b C 36.6800 -13.3000
42 C1b C 37.8700 -12.6000
43 C1b C 39.1300 -13.3000
44 C1b C 40.3200 -12.6000
45 C1a C 41.5100 -13.3000
46 O6a O 45.1500 -11.2000
47 O6a O 43.9600 -9.1000
BOND 48
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 5 2 1 #Up
5 3 6 1
6 3 7 1 #Up
7 4 8 1
8 4 9 1 #Up
9 5 10 1
10 5 11 1
11 6 12 1
12 6 13 1 #Down
13 10 14 1
14 11 15 1
15 11 16 1 #Down
16 12 17 1 #Up
17 14 18 1
18 14 19 1 #Up
19 15 20 1 #Up
20 17 21 1
21 18 22 1 #Down
22 19 23 1
23 8 12 1
24 15 18 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 33 34 1
35 34 35 1
36 24 36 1
37 36 9 1
38 36 37 1
39 37 38 1
40 38 39 1
41 39 40 1
42 40 41 1
43 41 42 1
44 42 43 1
45 43 44 1
46 44 45 1
47 35 46 1
48 35 47 2
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