ATOM 31
1 C8y C 27.3000 -20.2300
2 C8y C 27.3000 -21.6300
3 C8y C 25.9700 -19.8100
4 C8y C 28.2800 -19.2500
5 C8y C 28.3500 -22.6100
6 C8y C 26.1100 -21.9100
7 C8y C 25.5500 -18.4800
8 O2a O 24.7100 -20.3700
9 C8x C 27.7900 -17.8500
10 C1x C 29.6800 -19.2500
11 C8x C 28.0000 -23.9400
12 C1x C 29.7500 -22.6100
13 C8y C 25.6900 -23.3800
14 O2a O 24.7100 -21.2800
15 C8y C 26.5300 -17.5000
16 O2a O 24.2900 -17.8500
17 C1a C 23.5200 -19.7400
18 C1z C 30.5200 -20.1600
19 C8y C 26.6700 -24.3600
20 C1y C 30.5200 -21.7000
21 O2a O 24.2900 -23.7300
22 C1a C 23.3800 -21.9800
23 O2a O 25.9000 -16.2400
24 O2a O 26.3200 -25.6900
25 C1a C 31.8500 -22.1900
26 C1a C 23.9400 -25.0600
27 C1a C 24.9900 -26.1100
28 C1a C 24.5025 -16.1561
29 C1a C 23.1217 -18.6214
30 O1a O 31.7296 -19.4551
31 C1a C 31.7256 -20.8717
BOND 33
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 2
15 7 16 1
16 8 17 1
17 10 18 1
18 11 19 2
19 12 20 1
20 13 21 1
21 14 22 1
22 15 23 1
23 19 24 1
24 20 25 1
25 21 26 1
26 24 27 1
27 9 15 1
28 13 19 1
29 18 20 1
30 23 28 1
31 16 29 1
32 18 30 1
33 18 31 1
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