PUBCHEM-ZINC05513918 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 0.3240 0.8630 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -0.5510 -0.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -1.0670 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -2.4320 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -2.9540 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -2.1170 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -0.7560 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -0.2290 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 -2.6890 0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9010 -3.7690 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 -2.0670 1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0090 -2.6080 1.4270 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.1970 -3.8080 1.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 -1.8580 1.6230 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7740 -2.3750 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 -3.0500 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 -4.2490 -2.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 -2.2650 -3.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 -0.9400 -3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -0.3110 -4.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 -0.2580 -2.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 -0.8690 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4670 -0.2380 -0.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 1.1420 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 1.1530 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 1.3720 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -3.0860 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -4.0160 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 -0.1050 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 0.8340 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 -2.3040 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7030 -0.9860 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7650 -2.8140 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -2.6740 -4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 0.7040 -2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END