PUBCHEM-ZINC06238753 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -0.0730 1.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 0.0120 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -0.5010 -2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 0.0100 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -0.4810 -3.7830 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 -0.1440 -4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -0.6090 -5.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 -0.2730 -5.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8140 0.5240 -4.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1990 0.9880 -3.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 0.6620 -3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2230 0.8800 -4.8480 N 0 3 0 0 0 0 0 0 0 0 0 0 10.7660 0.4720 -5.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8400 1.5820 -4.0660 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -0.3710 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -0.3490 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 1.1020 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -1.5910 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -0.1400 -3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 1.1000 -2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 -0.3510 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3600 -1.0410 -4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2560 -1.2320 -5.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5990 -0.6340 -6.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7480 1.6100 -2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 1.0280 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4780 -1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -1.4840 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 39 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END