NCID-ZINC04214922 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 53 0 0 1 0 0 0 0 0999 V2000 -0.3080 1.3190 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -0.1500 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 -0.5230 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 0.2390 -0.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -1.7870 0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -2.3340 0.5400 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2130 -1.8570 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -2.1480 2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 -0.6810 2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 -0.5190 3.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -1.4100 4.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 0.8600 4.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 1.3760 4.7260 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.5350 1.8450 5.0280 N 0 5 0 0 0 0 0 0 0 0 0 0 -3.3510 -3.8230 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -4.5920 0.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 -4.1820 -0.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -5.5440 -1.5120 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0820 -6.0430 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 -6.3440 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -6.6990 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1030 -7.6070 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2200 -7.7390 0.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 -8.3930 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6160 -8.2690 3.2790 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3300 -8.1790 4.1660 N 0 5 0 0 0 0 0 0 0 0 0 0 -4.2330 -5.4970 -3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 -4.3460 -3.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 1.7180 -0.0610 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6740 1.4560 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 3.2300 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 3.3460 1.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 1.9400 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 1.5360 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -0.3360 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.7930 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -2.3860 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -2.7100 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 -2.5830 2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -0.1210 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -0.2330 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 1.3610 4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -3.4980 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 -5.7770 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 -7.2740 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -7.2060 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 -5.8020 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 -9.0190 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -6.5850 -3.6720 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7480 4.0570 -0.5080 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8870 1.0040 1.0600 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6570 0.4010 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 0.5750 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 1.8680 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 M CHG 1 13 1 M CHG 1 14 -1 M CHG 1 25 1 M CHG 1 26 -1 M CHG 1 49 -1 M CHG 1 50 -1 M CHG 1 51 1 M END