ATOM 32
1 C1z C 21.0000 -17.9900
2 C1z C 22.2600 -17.2900
3 C1y C 19.8100 -17.2900
4 C1x C 21.0000 -19.3900
5 C1a C 20.4400 -16.5900
6 C2y C 22.2600 -15.9600
7 C1x C 23.4500 -18.0600
8 C1a C 22.1900 -18.6900
9 C1z C 18.6200 -17.9900
10 C1x C 19.8100 -15.8900
11 C1x C 19.8100 -20.0900
12 C1y C 23.4500 -15.2600
13 C2x C 21.0700 -15.2600
14 C1x C 24.6400 -17.3600
15 C1y C 18.6200 -19.3900
16 C1x C 17.4300 -17.2900
17 C1a C 18.6200 -16.5900
18 C1z C 24.6400 -15.9600
19 C1x C 23.4500 -13.8600
20 C1z C 17.4300 -20.0900
21 C1x C 16.1700 -17.9900
22 C1x C 25.9000 -15.2600
23 C1b C 25.8300 -16.6600
24 C1z C 24.7100 -13.1600
25 C1y C 16.1700 -19.3900
26 C1a C 17.9200 -21.5600
27 C1a C 16.6600 -21.2800
28 C1x C 25.9000 -13.9300
29 C1a C 24.0100 -11.9700
30 C1a C 25.3400 -11.9700
31 O1a O 14.9800 -20.0900
32 O1a O 27.0200 -15.9600
BOND 36
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 4 11 1
11 6 12 1
12 6 13 2
13 7 14 1
14 9 15 1
15 9 16 1
16 9 17 1 #Up
17 12 18 1
18 12 19 1
19 15 20 1
20 16 21 1
21 18 22 1
22 18 23 1 #Up
23 19 24 1
24 20 25 1
25 20 26 1
26 20 27 1
27 22 28 1
28 24 29 1
29 24 30 1
30 25 31 1 #Up
31 10 13 1
32 11 15 1
33 14 18 1
34 21 25 1
35 24 28 1
36 23 32 1
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