DR2115 -OEChem-05042003493D 13 13 0 0 0 0 0 0 0999 V2000 -2.3708 -1.1489 -0.0001 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4078 1.1087 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -1.2091 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 0.0142 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3992 1.2172 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4363 -1.1609 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7897 1.2085 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4306 -0.0200 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7666 -0.0098 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1149 2.1742 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0371 -2.1378 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3543 2.1339 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 -0.0811 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 M CHG 1 1 -1 M END $$$$