ATOM 29
1 C1y C 23.5900 -19.3200
2 C1y C 24.9900 -19.3200
3 C1x C 25.4100 -17.9900
4 O2x O 24.2900 -17.1500
5 C1y C 23.1700 -17.9900
6 C8x C 27.3700 -17.9200
7 C8y C 27.3700 -19.3200
8 C8x C 28.5600 -20.0200
9 C8y C 29.8200 -19.3200
10 C8y C 29.8200 -17.9200
11 C8x C 28.5600 -17.2200
12 C1c C 26.1800 -20.0200
13 C8y C 19.5300 -15.8900
14 C8y C 19.5300 -17.2900
15 C8x C 20.7200 -17.9900
16 C8y C 21.9800 -17.2900
17 C8x C 21.9800 -15.8900
18 C8x C 20.7200 -15.1900
19 O2a O 18.3400 -15.1900
20 C1a C 17.1500 -15.8900
21 O2a O 18.3400 -17.9900
22 C1a C 17.1500 -17.2900
23 O1a O 21.2100 -19.3200
24 C1b C 22.4000 -20.0200
25 O2a O 31.0266 -17.2100
26 C1a C 32.2363 -17.8953
27 O2a O 31.0266 -20.0300
28 C1a C 32.2363 -19.3447
29 O1a O 26.1800 -21.4200
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 6 7 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 6 11 2
12 7 12 1
13 12 2 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 16 5 1
21 13 19 1
22 19 20 1
23 14 21 1
24 21 22 1
25 23 24 1
26 24 1 1
27 10 25 1
28 25 26 1
29 9 27 1
30 27 28 1
31 12 29 1
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