ATOM 38
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 C1x 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 C1b C 36.8200 -25.1300
20 O1a O 40.3900 -27.2300
21 C2y C 41.5800 -22.4000
22 C1x C 42.7000 -21.5600
23 O7x O 42.2100 -20.3000
24 C7x C 40.8800 -20.3000
25 C2x C 40.4600 -21.5600
26 O6a O 40.0400 -19.1800
27 O2a O 33.1800 -28.5600
28 C1y C 31.9900 -29.2600
29 O2x O 30.8000 -28.5600
30 C1y C 29.6100 -29.2600
31 C1y C 29.6100 -30.6600
32 C1y C 30.8000 -31.3600
33 C1y C 31.9900 -30.6600
34 O1a O 28.4200 -31.3600
35 C1a C 28.4200 -28.5600
36 O1a O 30.8000 -32.6900
37 O1a O 33.1800 -31.3600
38 O1a O 35.6076 -24.4300
BOND 43
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 5 19 1 #Up
23 11 20 1 #Up
24 17 21 1 #Up
25 21 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 21 25 2
30 24 26 2
31 2 27 1 #Up
32 28 27 1 #Up
33 28 29 1
34 29 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 28 33 1
39 31 34 1 #Up
40 30 35 1 #Down
41 32 36 1 #Down
42 33 37 1 #Down
43 19 38 1
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