ATOM 39
1 C8y C 21.8400 -16.8000
2 C8y C 21.8400 -18.2000
3 C8x C 20.6500 -18.9000
4 C8y C 19.3900 -18.2000
5 C8x C 19.3900 -16.8000
6 C8y C 20.6500 -16.1000
7 C1y C 23.1700 -18.6200
8 C1y C 24.0100 -17.5000
9 O2x O 23.1700 -16.3800
10 C8y C 25.4100 -17.5000
11 C8x C 26.1100 -18.6900
12 C8y C 27.5800 -18.6900
13 C8y C 28.2800 -17.5000
14 C8x C 27.5800 -16.3100
15 C8x C 26.1100 -16.3100
16 O1a O 29.6800 -17.5000
17 O2a O 28.2800 -19.8800
18 C1a C 29.6800 -19.8800
19 C1b C 23.1700 -20.0200
20 O2a O 20.6500 -14.7000
21 C1a C 21.8400 -14.0000
22 C1b C 18.2000 -18.8300
23 C1y C 16.9400 -18.1300
24 C1y C 16.9400 -16.7300
25 C1x C 15.6100 -18.5500
26 O7x O 14.7700 -17.4300
27 C7x C 15.6100 -16.3100
28 C1b C 18.1300 -16.0300
29 C8y C 18.1300 -14.6300
30 C8x C 19.3200 -13.9300
31 C8x C 19.3200 -12.5300
32 C8y C 18.1300 -11.8300
33 C8y C 16.9400 -12.5300
34 C8x C 16.9400 -13.9300
35 O1a O 18.1300 -10.3600
36 O2a O 15.7500 -11.8300
37 C1a C 14.5600 -12.5300
38 O6a O 15.1900 -14.9800
39 O1a O 24.3600 -20.7200
BOND 43
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 7 8 1
9 8 9 1
10 1 9 1
11 8 10 1 #Down
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 13 16 1
19 12 17 1
20 17 18 1
21 7 19 1 #Up
22 6 20 1
23 20 21 1
24 4 22 1
25 23 22 1 #Up
26 24 23 1
27 23 25 1
28 25 26 1
29 26 27 1
30 24 27 1
31 24 28 1 #Down
32 28 29 1
33 29 30 2
34 30 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 29 34 1
39 32 35 1
40 33 36 1
41 36 37 1
42 27 38 2
43 19 39 1
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