PUBCHEM-ZINC05724204 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 63 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1860 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.0190 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4240 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 2.0980 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 1.8220 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 2.7360 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 0.6950 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.3600 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 0.6730 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4650 0.5380 1.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8390 0.4930 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3110 0.3650 2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6660 0.3220 3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5680 0.4060 2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0900 0.5340 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7330 0.5720 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0190 0.3600 2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5670 0.2440 3.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9600 0.2250 3.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4100 0.3470 2.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9770 -0.5350 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0940 0.4350 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2360 1.5940 1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3320 1.7040 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7850 3.0380 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9380 3.6630 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9980 2.7850 2.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7920 0.1100 4.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2430 0.0010 5.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0700 -0.1130 6.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4430 -0.1180 6.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9940 -0.0100 5.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1730 0.0970 4.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3290 -0.2400 7.9370 N 0 3 0 0 0 0 0 0 0 0 0 0 16.8460 -0.3360 9.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5390 -0.2460 7.7950 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -1.7650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.1780 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -0.1720 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3390 1.6010 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 0.4790 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6140 0.3000 3.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0320 0.2230 4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7830 0.6000 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3620 0.6670 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0070 -0.4030 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0370 1.3820 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7810 0.9240 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6460 3.4720 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0010 4.6970 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 0.0060 5.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6440 -0.1970 7.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0670 -0.0140 5.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6030 0.1770 3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 57 1 0 0 0 0 35 58 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 M CHG 1 36 1 M CHG 1 38 -1 M END