IBS-ZINC04870908 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.5680 0.3580 -2.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -0.1850 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -0.7880 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6390 -2.4960 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 0.2090 -3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -1.4270 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -1.4720 0.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -2.0520 0.3230 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5520 -2.2770 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -3.7460 1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 -4.2880 3.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 -4.3900 0.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -3.4610 -0.2880 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2230 -3.5210 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 -3.7850 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -3.9540 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -4.2510 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -4.3790 -2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -4.2100 -2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -3.9080 -2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -4.6990 -2.8870 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5880 -4.8480 -2.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -4.8120 -4.0990 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7600 -5.8420 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -6.5030 0.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9930 -6.1130 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -8.0370 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -8.5870 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -7.3200 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -6.2860 -0.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 -1.4330 2.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 0.8650 -3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -0.1420 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 0.5760 -4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -3.8530 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -4.3830 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -4.3110 -4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -3.7720 -2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 -6.0740 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 -6.2180 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -8.3610 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 -8.3560 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -9.1830 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -9.1780 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -7.4760 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -7.0550 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -1.4240 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 31 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 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 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END