NCID-ZINC04972980 MOE2007 3D CORINA 3.40 0006 02.08.2006 79 81 0 0 1 0 0 0 0 0999 V2000 0.5740 0.8080 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -0.5230 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -1.6620 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -0.5040 0.1040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9550 -1.5060 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 0.4560 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 1.5240 -0.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -0.1100 1.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -0.9640 2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -2.1850 2.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -0.2510 3.6150 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7470 0.7820 3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 -0.2690 3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4930 0.7090 4.6950 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1890 0.5500 4.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1260 1.5200 4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3340 2.7960 4.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1920 3.7030 4.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8470 3.3460 5.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6420 2.0840 6.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7840 1.1760 5.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -0.9350 4.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -0.6420 5.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 0.1920 4.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -1.4840 6.6710 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0780 -1.5410 7.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -2.8830 6.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -0.7890 7.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -0.9870 8.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -1.7850 9.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -0.1170 9.3780 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0700 -0.2030 8.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 1.3490 9.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 1.5260 10.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 1.1170 11.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -0.6490 10.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 -0.3070 11.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 0.4760 11.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -0.9580 12.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -0.7230 13.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -1.2980 14.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 -2.1140 15.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -2.7360 16.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -3.5870 16.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -3.8210 16.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -3.2020 14.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -2.3530 14.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -1.7740 13.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 0.7640 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 1.6350 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 1.0460 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -0.7070 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -1.4990 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -2.6220 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -1.7450 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 0.8870 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 0.1500 2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 -1.2970 3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1960 0.7290 2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5370 -0.4770 4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8230 3.0920 3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3430 4.6880 4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5140 4.0520 6.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1500 1.8090 7.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6200 0.2000 6.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -1.6520 5.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -2.8430 5.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -3.4890 7.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -3.4010 5.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -0.1330 6.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 1.9900 9.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 1.7160 8.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -1.3270 11.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -0.0680 13.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -2.5530 17.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -4.0640 17.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -4.4810 16.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -3.3890 14.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 0.0540 -2.2080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 52 1 0 0 0 0 3 53 1 0 0 0 0 3 54 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 79 1 0 0 0 0 8 9 1 0 0 0 0 8 56 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 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 61 1 0 0 0 0 18 19 1 0 0 0 0 18 62 1 0 0 0 0 19 20 2 0 0 0 0 19 63 1 0 0 0 0 20 21 1 0 0 0 0 20 64 1 0 0 0 0 21 65 1 0 0 0 0 22 23 1 0 0 0 0 22 66 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 29 1 0 0 0 0 28 70 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 36 1 0 0 0 0 33 34 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 36 73 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 48 2 0 0 0 0 40 41 2 0 0 0 0 40 74 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 47 2 0 0 0 0 43 44 2 0 0 0 0 43 75 1 0 0 0 0 44 45 1 0 0 0 0 44 76 1 0 0 0 0 45 46 2 0 0 0 0 45 77 1 0 0 0 0 46 47 1 0 0 0 0 46 78 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 79 -1 M END