C8H9NO2 NCtclcactv06132607353D 0 0.00000 0.00000 20 20 0 0 0 0 0 0 0 0999 V2000 0.2055 0.8303 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6906 -1.4657 -0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5485 1.1359 0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0332 -1.1585 -0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9799 -0.1617 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2731 0.3568 0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8656 -1.6522 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2273 -0.4718 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 0.1425 -0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 1.1759 -0.5917 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7872 0.4441 -0.1268 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 0.1262 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5898 -0.7828 0.2712 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5074 1.6029 0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3545 -2.4786 -0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8853 2.1488 0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 -1.9314 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3884 -0.6588 -0.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0964 -0.8086 0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 0.7739 0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 8 13 1 0 0 0 0 12 13 1 0 0 0 0 1 8 2 0 0 0 0 2 8 1 0 0 0 0 1 3 1 0 0 0 0 3 9 2 0 0 0 0 4 9 1 0 0 0 0 2 4 2 0 0 0 0 5 12 1 0 0 0 0 6 11 1 0 0 0 0 7 13 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 M END $$$$ C8H9NO2 NCtclcactv06132607353D 0 0.00000 0.00000 20 20 0 0 0 0 0 0 0 0999 V2000 0.2488 0.8395 0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 1.1009 0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 -1.1501 -0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 -1.4190 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9497 -0.1442 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1548 1.0089 -1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3022 0.1839 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2597 -0.4242 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4364 0.1084 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1029 1.0087 -0.9677 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 0.3699 -0.2138 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4869 0.0561 -0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -0.6883 0.4893 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3679 -0.8718 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0632 -0.5101 1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4759 0.8044 0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4071 1.6109 0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9858 2.0790 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5946 -1.9199 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -2.3984 -0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 5 12 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 8 13 1 0 0 0 0 1 8 2 0 0 0 0 4 8 1 0 0 0 0 1 2 1 0 0 0 0 2 9 2 0 0 0 0 9 11 1 0 0 0 0 3 9 1 0 0 0 0 3 4 2 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 10 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 7 11 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 M END $$$$