C12H16O3 NCtclcactv02112611013D 0 0.00000 0.00000 31 31 0 0 0 0 0 0 0 0999 V2000 -0.4335 0.4835 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7791 -0.1114 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9153 0.7105 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7815 2.0576 -0.0954 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1762 0.1397 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3109 -1.2319 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1912 -2.0474 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9305 -1.4980 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3062 1.6895 -0.1731 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6558 -0.3097 -0.0874 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 0.3448 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -0.7096 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4194 -0.0199 -0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6469 0.8360 0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5204 -1.0774 -0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7781 2.3959 -1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0542 0.7688 0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2953 -1.6715 0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -3.1190 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 -2.1377 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 0.9095 -1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0731 1.0227 0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 -1.2743 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9326 -1.3875 -0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 0.6152 -1.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6174 1.3274 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8624 1.5894 1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6228 0.2009 1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3584 -1.6872 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4910 -0.5861 -0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4964 -1.7125 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 2 8 2 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END $$$$