ATOM 13
1 C1y C 27.4002 -20.8058
2 O2x O 28.6108 -20.1104
3 C1y C 27.4002 -22.2031
4 C1b C 26.1959 -20.1104
5 C1y C 29.8340 -20.8058
6 C1y C 28.6108 -22.9050
7 O1a O 26.1959 -22.9050
8 O1a O 25.1271 -21.0119
9 C1y C 29.8340 -22.2031
10 O2a O 31.0512 -20.1104
11 O1a O 28.6171 -24.3087
12 O1a O 31.0512 -22.9050
13 R R 32.2616 -20.8123
BOND 13
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Down
10 6 11 1 #Up
11 9 12 1 #Up
12 10 13 1
13 6 9 1
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