ATOM 40
1 C1y C 21.4900 -23.7300
2 C8y C 22.6800 -23.0300
3 C8y C 20.3000 -23.0300
4 C1y C 21.4900 -25.1300
5 C8y C 22.6800 -21.6300
6 C8x C 23.8700 -23.7300
7 C8y C 20.3000 -21.6300
8 C8x C 19.0400 -23.7300
9 O2x O 20.2300 -25.8300
10 C1y C 22.6800 -25.8300
11 C5x C 21.4900 -20.9300
12 C8y C 23.9400 -20.9300
13 C8y C 25.0600 -23.0300
14 C8y C 19.0400 -20.9300
15 C8x C 17.8500 -23.0300
16 C1y C 20.2300 -27.2300
17 C1y C 22.6800 -27.2300
18 O1a O 23.9400 -25.1300
19 O5x O 21.4900 -19.5300
20 C8x C 25.0600 -21.6300
21 O1a O 23.9400 -19.5300
22 C1b C 26.3200 -23.7300
23 C8x C 17.8500 -21.6300
24 O1a O 19.0400 -19.5300
25 C1y C 21.4900 -27.9300
26 C1b C 19.0400 -27.9300
27 O1a O 23.9400 -27.9300
28 O2a O 27.5800 -23.0300
29 O1a O 21.4900 -29.3300
30 O1a O 19.0400 -29.3300
31 C1y C 28.7700 -23.7300
32 O2x O 28.7700 -25.1300
33 C1y C 29.9600 -25.8300
34 C1y C 31.1500 -25.2000
35 C1y C 31.1500 -23.8000
36 C1y C 30.0300 -23.1000
37 C1a C 29.9600 -27.2300
38 O1a O 30.0300 -21.7000
39 O1a O 32.4100 -23.1000
40 O1a O 32.3400 -25.9000
BOND 44
1 4 1 1
2 2 5 2
3 2 6 1
4 3 7 2
5 3 8 1
6 4 9 1
7 4 10 1
8 5 11 1
9 5 12 1
10 6 13 2
11 7 14 1
12 8 15 2
13 9 16 1
14 10 17 1
15 10 18 1 #Down
16 11 19 2
17 12 20 2
18 12 21 1
19 13 22 1
20 14 23 2
21 14 24 1
22 16 25 1
23 16 26 1 #Up
24 17 27 1 #Up
25 22 28 1
26 25 29 1 #Down
27 7 11 1
28 13 20 1
29 15 23 1
30 17 25 1
31 26 30 1
32 1 2 1
33 1 3 1
34 31 28 1 #Up
35 31 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 31 36 1
41 33 37 1 #Down
42 36 38 1 #Down
43 35 39 1 #Down
44 34 40 1 #Up
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