ATOM 46
1 C8y C 21.4900 -11.2000
2 C8x C 21.4900 -12.6000
3 C8y C 22.6800 -13.3000
4 C8x C 22.6800 -10.5000
5 C8y C 23.8700 -11.2000
6 C8y C 23.8700 -12.6000
7 C8y C 25.0600 -13.3000
8 C8y C 26.3200 -12.6000
9 C8y C 26.3200 -11.2000
10 O2x O 25.1300 -10.5000
11 C8y C 27.5100 -10.5000
12 C8x C 28.7000 -11.2000
13 C8y C 29.8900 -10.5700
14 C8y C 29.8900 -9.1700
15 C8x C 28.7000 -8.4700
16 C8x C 27.5100 -9.1700
17 O1a O 22.6800 -14.7000
18 O2a O 20.3000 -10.5000
19 O5x O 25.0600 -14.7000
20 O1a O 31.0800 -8.4700
21 O1a O 31.0800 -11.2000
22 O2a O 27.6500 -13.3000
23 C1y C 29.1200 -14.6300
24 O2x O 29.1200 -15.9600
25 C1y C 30.3100 -16.6600
26 C1y C 31.5000 -15.9600
27 C1y C 31.5000 -14.6300
28 C1y C 30.3100 -13.9300
29 O1a O 30.3100 -12.5300
30 O1a O 32.6900 -13.9300
31 O1a O 32.6900 -16.6600
32 C1b C 30.3100 -18.0600
33 O2a O 29.0500 -18.7600
34 C1y C 27.8600 -18.0600
35 O2x O 27.8600 -16.6600
36 C1y C 26.6700 -15.9600
37 C1y C 25.4800 -16.6600
38 C1y C 25.4800 -18.0600
39 C1y C 26.6700 -18.7600
40 C1a C 26.6700 -14.5600
41 O1a O 24.2900 -15.9600
42 O1a O 24.2900 -18.7600
43 O1a O 26.6700 -20.1600
44 C1b C 19.0819 -11.1901
45 C1b C 17.9005 -10.4950
46 O1a O 16.6951 -11.1780
BOND 50
1 9 10 1
2 13 21 1
3 10 5 1
4 8 22 1
5 23 22 1 #Up
6 9 11 1
7 1 2 2
8 2 3 1
9 3 6 2
10 5 4 2
11 23 24 1
12 24 25 1
13 25 26 1
14 26 27 1
15 27 28 1
16 28 23 1
17 4 1 1
18 28 29 1 #Down
19 11 12 2
20 27 30 1 #Up
21 12 13 1
22 26 31 1 #Down
23 13 14 2
24 25 32 1 #Up
25 14 15 1
26 32 33 1
27 15 16 2
28 34 33 1 #Up
29 16 11 1
30 5 6 1
31 3 17 1
32 6 7 1
33 1 18 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 38 39 1
39 39 34 1
40 7 8 1
41 36 40 1 #Down
42 7 19 2
43 37 41 1 #Up
44 8 9 2
45 38 42 1 #Down
46 14 20 1
47 39 43 1 #Down
48 18 44 1
49 44 45 1
50 45 46 1
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