ATOM 40
1 C1x C 20.7200 -23.7300
2 C1y C 20.7200 -22.3300
3 C1x C 21.9100 -21.6300
4 C1y C 23.1700 -22.3300
5 C1z C 23.1700 -23.7300
6 C1x C 21.9100 -24.4300
7 C2y C 24.3600 -21.6300
8 C2y C 25.6200 -22.3300
9 C5x C 25.6200 -23.7300
10 C1x C 24.3600 -24.4300
11 C1d C 19.5300 -21.6300
12 O2a O 18.3400 -22.3300
13 C1y C 17.0800 -23.0300
14 O2x O 15.8900 -22.3300
15 C1y C 14.7000 -23.0300
16 C1y C 14.7000 -24.4300
17 C1y C 15.8900 -25.0600
18 C1y C 17.0800 -24.4300
19 O1a O 18.3400 -25.0600
20 O1a O 15.8900 -26.4600
21 O1a O 13.4400 -25.0600
22 C1b C 13.4400 -22.3300
23 O1a O 12.1800 -23.0300
24 C1a C 20.1600 -20.3700
25 C1a C 18.8300 -20.3700
26 C1a C 24.3600 -20.2300
27 O2a O 26.8266 -21.6200
28 C1y C 28.0363 -22.3053
29 O2x O 28.0474 -23.7298
30 C1y C 29.2652 -24.4204
31 C1y C 30.4722 -23.7110
32 C1y C 30.4611 -22.2866
33 C1y C 29.2433 -21.5960
34 O5x O 26.8266 -24.4400
35 C1a C 23.1700 -25.1300
36 C1b C 29.2762 -25.8299
37 O1a O 31.6712 -21.5754
38 O1a O 29.2331 -20.2303
39 O1a O 31.6810 -24.3968
40 O1a O 30.4818 -26.5136
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 2
9 8 9 1
10 9 10 1
11 5 10 1
12 2 11 1 #Up
13 11 12 1
14 13 12 1 #Up
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 18 19 1 #Down
22 17 20 1 #Up
23 16 21 1 #Down
24 15 22 1 #Up
25 22 23 1
26 11 24 1
27 11 25 1
28 7 26 1
29 8 27 1
30 28 27 1 #Up
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 28 33 1
37 9 34 2
38 5 35 1 #Up
39 30 36 1 #Up
40 32 37 1 #Up
41 33 38 1 #Down
42 31 39 1 #Down
43 36 40 1
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