CHEMBRIDGE-ZINC04075997 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -1.9920 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.6020 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -1.8350 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4550 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 0.1610 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -2.5030 -4.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -2.7390 -5.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -1.8940 -6.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -2.3300 -7.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -3.5040 -7.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -4.1820 -5.6670 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -4.1240 -7.8240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -3.4980 -8.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -2.3930 -9.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 -4.1570 -9.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 -3.5130 -10.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -4.1330 -11.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 -5.3920 -11.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -6.0360 -10.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 -5.4300 -9.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 -6.0520 -12.0700 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.2030 -5.4860 -13.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 -7.1600 -11.7640 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -2.5910 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -3.6800 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 0.1420 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 1.2380 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 -1.8620 -4.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -3.4570 -4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -0.9310 -6.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -5.0060 -7.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -2.5300 -11.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -3.6350 -12.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -7.0190 -9.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 -5.9360 -8.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 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 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 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END