ATOM 31
1 C1z C 14.7000 -19.0400
2 C1y C 13.4400 -18.3400
3 C1x C 13.4400 -16.9400
4 C1x C 14.6300 -16.2400
5 C1y C 15.8900 -16.8700
6 C2y C 15.8900 -18.3400
7 C1z C 17.0100 -16.1700
8 C1y C 18.2700 -16.8700
9 C1x C 18.2700 -18.2700
10 C2x C 17.0800 -18.9700
11 C1x C 17.0100 -14.8400
12 C1x C 18.2000 -14.0700
13 C1z C 19.4600 -14.7700
14 C1z C 19.4600 -16.1700
15 C1y C 20.6500 -14.0700
16 C1z C 21.8400 -14.7700
17 C1x C 21.8400 -16.1000
18 C1x C 20.6500 -16.8700
19 C1a C 22.9600 -15.6100
20 C1a C 19.3200 -13.0200
21 C1a C 14.0000 -20.2300
22 C1a C 15.4700 -20.2300
23 O1a O 12.3200 -18.9700
24 C1a C 16.0300 -14.7700
25 C1a C 19.4600 -17.6400
26 C1y C 22.8735 -13.8545
27 C1x C 22.3222 -12.5888
28 C1x C 20.9480 -12.7219
29 C1c C 24.2735 -13.8545
30 C1a C 24.9799 -15.0782
31 C1a C 24.9752 -12.6391
BOND 35
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 6 10 2
12 7 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 8 14 1
17 13 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 14 18 1
22 16 19 1 #Down
23 13 20 1 #Down
24 1 21 1
25 1 22 1
26 2 23 1 #Up
27 7 24 1 #Up
28 14 25 1 #Up
29 16 26 1
30 26 27 1
31 27 28 1
32 15 28 1
33 26 29 1 #Down
34 29 30 1
35 29 31 1
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