ATOM 37
1 C1y C 23.4500 -19.1100
2 C1y C 25.0600 -19.1100
3 C2y C 26.2500 -20.1600
4 C2y C 26.2500 -21.5600
5 C1y C 24.5000 -23.2400
6 C1x C 23.0300 -22.8200
7 C2y C 22.2600 -21.8400
8 C2y C 22.2600 -20.3000
9 C1x C 25.6900 -22.6100
10 C7x C 20.7200 -19.8100
11 O7x O 19.8100 -21.0700
12 C7x C 20.7200 -22.3300
13 C7x C 27.5800 -22.0500
14 O7x O 28.4200 -20.8600
15 C7x C 27.5800 -19.7400
16 O6a O 20.3000 -23.6600
17 O6a O 20.3000 -18.5500
18 O6a O 28.0000 -18.4800
19 O6a O 28.0000 -23.3100
20 C1c C 22.8900 -17.8500
21 O1a O 21.5600 -17.7100
22 C1b C 23.7300 -16.8000
23 O1a O 25.5500 -17.8500
24 C1b C 25.0600 -16.9400
25 C1b C 25.9000 -15.8900
26 C1b C 27.2300 -16.1000
27 C1b C 28.0700 -15.0500
28 C1a C 29.4000 -15.1900
29 C1c C 24.5000 -24.5700
30 O1a O 25.8300 -25.2700
31 C1y C 23.6600 -25.3400
32 C1x C 22.4700 -26.0400
33 C2x C 22.4700 -27.3700
34 C2x C 23.6600 -28.0700
35 C7x C 24.7800 -27.3700
36 O7x O 24.7800 -26.0400
37 O6a O 25.9700 -28.0700
BOND 40
1 1 2 1
2 2 3 1
3 3 4 2
4 5 6 1
5 6 7 1
6 7 8 2
7 8 1 1
8 5 9 1
9 4 9 1
10 8 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 4 13 1
15 13 14 1
16 14 15 1
17 3 15 1
18 12 16 2
19 10 17 2
20 15 18 2
21 13 19 2
22 1 20 1
23 20 21 1 #Down
24 20 22 1
25 2 23 1 #Up
26 22 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 5 29 1
32 29 30 1 #Down
33 29 31 1
34 31 32 1
35 32 33 1
36 33 34 2
37 34 35 1
38 35 36 1
39 31 36 1
40 35 37 2
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