PUBCHEM-ZINC05131740 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4500 -0.3660 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -0.5250 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -0.8980 -1.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 2.0330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 2.3160 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 2.1950 -2.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 2.7570 -0.6800 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 3.0300 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 2.7580 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 3.1000 1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 2.3210 1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 2.2230 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -1.4820 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -0.5750 0.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.4770 -1.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -0.1540 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 -0.9170 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 M END