PUBCHEM-ZINC05733423 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 0.2020 1.2920 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -0.0500 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -0.3850 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 0.6130 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 1.9570 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.3050 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 3.7550 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 4.3710 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 5.8340 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 6.4450 0.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 6.4030 2.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 7.8020 2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 8.2390 4.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 9.9840 4.1980 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 10.2960 5.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 9.2680 6.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 9.4960 8.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 10.7880 8.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 11.7390 7.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 11.5630 6.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 12.8790 8.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 12.5880 9.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 11.3300 9.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 14.1580 7.4410 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7930 14.1700 6.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 14.4160 7.2250 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4480 13.5110 7.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 15.5300 8.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9650 16.2410 7.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 16.2260 8.4100 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6520 16.9250 7.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 15.1970 8.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 16.9350 9.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 17.5940 9.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 16.9300 9.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 14.9320 9.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 14.4580 9.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 14.9000 6.0070 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1120 8.4560 8.9840 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 0.1460 -0.4420 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -1.7170 -0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 1.5410 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -0.8310 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 2.7420 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 4.3150 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 3.8410 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 3.8370 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 4.2950 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 5.8320 3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 8.3960 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 7.9240 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 7.6170 4.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 8.1160 4.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 13.3290 10.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 16.2320 10.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 17.6890 9.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 7.5500 8.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 8.6270 9.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 -1.7850 -0.1930 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 42 1 0 0 0 0 2 3 2 0 0 0 0 2 43 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 40 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 8 48 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 49 1 0 0 0 0 12 13 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 54 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 38 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 36 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 39 57 1 0 0 0 0 39 58 1 0 0 0 0 41 59 1 0 0 0 0 M CHG 1 38 -1 M END