ATOM 28
1 C1y C 29.1900 -24.4300
2 C1x C 29.1900 -25.8300
3 C1x C 28.0000 -26.5300
4 C1z C 26.8800 -25.8300
5 C1z C 26.8800 -24.4300
6 C1y C 28.0000 -23.8000
7 C1z C 25.5500 -26.2500
8 C1z C 24.7100 -25.1300
9 C1z C 25.5500 -24.0100
10 C1x C 23.4500 -24.7100
11 C1z C 23.4500 -23.3100
12 C1z C 24.7100 -22.8900
13 C1c C 22.2600 -22.6800
14 C1b C 21.0700 -23.3800
15 O1a O 19.8800 -22.6800
16 C1a C 22.2600 -21.2800
17 O1a O 22.0500 -24.1500
18 O1a O 24.0800 -26.3200
19 O1a O 24.2200 -23.6600
20 C1a C 25.5500 -27.6500
21 O1a O 26.8800 -27.1600
22 C1a C 30.3800 -23.8000
23 O1a O 28.0000 -22.4000
24 O2x O 26.8800 -22.9600
25 C1z C 25.7600 -22.6100
26 C1x C 26.2500 -24.7100
27 O1a O 25.7600 -21.2100
28 C1a C 24.0800 -21.7000
BOND 32
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 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 9 12 1
15 11 13 1
16 13 14 1
17 14 15 1
18 13 16 1
19 11 17 1 #Up
20 8 18 1 #Up
21 9 19 1 #Up
22 7 20 1
23 4 21 1 #Up
24 1 22 1 #Up
25 6 23 1 #Down
26 5 24 1 #Down
27 24 25 1
28 25 12 1
29 25 26 1 #Down
30 7 26 1 #Down
31 25 27 1
32 12 28 1 #Up
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