ATOM 40
1 C1y C 24.7100 -19.6700
2 C8y C 23.5200 -18.9700
3 C8y C 25.9700 -18.9700
4 C1y C 24.7100 -21.0700
5 C8y C 23.5200 -17.5700
6 C8x C 22.3300 -19.6700
7 C8y C 25.9700 -17.5700
8 C8x C 27.1600 -19.6700
9 O2x O 23.5200 -21.7700
10 C1y C 25.9700 -21.7700
11 C8y C 22.3300 -16.8700
12 C5x C 24.7800 -16.8700
13 C8x C 21.1400 -18.9700
14 C8y C 27.1600 -16.8700
15 C8y C 28.3500 -19.0400
16 C1y C 23.5200 -23.1700
17 C1y C 25.9700 -23.1700
18 O1a O 27.1600 -21.0700
19 O2a O 22.3300 -15.4700
20 C8x C 21.1400 -17.5700
21 O5x O 24.7800 -15.4700
22 C8x C 28.4200 -17.6400
23 O1a O 27.1600 -15.4700
24 C1a C 29.6100 -19.7400
25 C1y C 24.7100 -23.8700
26 C1b C 22.3300 -23.8700
27 O1a O 27.1600 -23.8700
28 C1y C 21.1400 -14.7700
29 O1a O 24.7100 -25.2700
30 O2x O 21.1400 -13.3700
31 C1y C 19.8800 -15.4700
32 C1y C 19.8800 -12.6700
33 C1y C 18.6900 -14.7700
34 O1a O 19.8800 -16.8700
35 C1y C 18.6900 -13.3700
36 C1b C 19.8800 -11.2700
37 O1a O 17.5000 -15.4700
38 O1a O 17.5000 -12.6700
39 O1a O 22.3300 -25.2700
40 O1a O 18.6900 -10.5700
BOND 44
1 2 5 2
2 2 6 1
3 3 7 2
4 3 8 1
5 4 9 1
6 4 10 1
7 5 11 1
8 5 12 1
9 6 13 2
10 7 14 1
11 8 15 2
12 9 16 1
13 10 17 1
14 10 18 1 #Down
15 11 19 1
16 11 20 2
17 12 21 2
18 14 22 2
19 14 23 1
20 15 24 1
21 16 25 1
22 16 26 1 #Up
23 17 27 1 #Up
24 28 19 1 #Up
25 25 29 1 #Down
26 28 30 1
27 28 31 1
28 30 32 1
29 31 33 1
30 31 34 1 #Down
31 32 35 1
32 32 36 1 #Up
33 33 37 1 #Up
34 35 38 1 #Down
35 7 12 1
36 13 20 1
37 15 22 1
38 17 25 1
39 33 35 1
40 26 39 1
41 1 2 1
42 36 40 1
43 1 3 1
44 4 1 1
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