ATOM 39
1 C1x C 34.3700 -26.5300
2 C1y C 34.3700 -27.9300
3 C1x C 35.6300 -28.5600
4 C1y C 36.8200 -27.9300
5 C1z C 36.8200 -26.5300
6 C1x C 35.6300 -25.8300
7 C1x C 38.0100 -28.5600
8 C1x C 39.2000 -27.9300
9 C1y C 39.2000 -26.5300
10 C1y C 38.0100 -25.8300
11 C1z C 40.3900 -25.8300
12 C1z C 40.3900 -24.4300
13 C1x C 39.2000 -23.8000
14 C1y C 38.0100 -24.4300
15 C1x C 42.7700 -25.8300
16 C1x C 42.7700 -24.4300
17 C1y C 41.5800 -23.8000
18 C1a C 40.3900 -23.1000
19 O1a O 38.0100 -23.1000
20 C1b C 36.8200 -25.1300
21 O1a O 40.3900 -27.2300
22 C2y C 41.5800 -22.4000
23 C1x C 42.7000 -21.5600
24 O7x O 42.2100 -20.3000
25 C7x C 40.8800 -20.3000
26 C2x C 40.4600 -21.5600
27 O6a O 40.0400 -19.1800
28 O2a O 33.1800 -28.5600
29 C1y C 31.9900 -29.2600
30 O2x O 30.8000 -28.5600
31 C1y C 29.6100 -29.2600
32 C1y C 29.6100 -30.6600
33 C1y C 30.8000 -31.3600
34 C1y C 31.9900 -30.6600
35 O1a O 28.4200 -31.3600
36 C1a C 28.4200 -28.5600
37 O1a O 30.8000 -32.6900
38 O1a O 33.1800 -31.3600
39 O1a O 35.6076 -24.4300
BOND 44
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 12 18 1 #Up
22 14 19 1 #Up
23 5 20 1 #Up
24 11 21 1 #Up
25 17 22 1 #Up
26 22 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 22 26 2
31 25 27 2
32 2 28 1 #Up
33 29 28 1 #Up
34 29 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 33 34 1
39 29 34 1
40 32 35 1 #Up
41 31 36 1 #Down
42 33 37 1 #Down
43 34 38 1 #Down
44 20 39 1
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