IBS-ZINC04063134 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 69 0 0 1 0 0 0 0 0999 V2000 0.6580 0.8810 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -0.6260 -0.2960 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0390 -1.3020 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -1.3120 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -1.8520 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -2.6140 -0.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -1.3140 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -1.3560 -1.5980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4980 -2.4190 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.8500 -2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -1.0380 -2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -0.3770 -1.4250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8810 0.7040 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -0.8350 -0.1570 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4180 -1.9180 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -0.1820 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -0.4530 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -0.0050 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5640 -0.5790 -1.3160 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0170 -0.0750 -2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -2.0390 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3660 -2.0800 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 -0.6750 0.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9590 -0.7640 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6630 0.0590 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6450 0.0750 -2.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7400 0.7610 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6540 1.4750 -0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6320 2.1280 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7420 2.1190 1.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5410 2.8530 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6500 3.6130 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5980 4.3680 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3620 4.2740 -2.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 1.5320 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 1.0540 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 1.4360 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 1.3510 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -0.8040 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -2.3400 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 -0.3070 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -1.9410 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -0.3030 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -1.9410 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 0.2040 -3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -1.4050 -3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -0.6220 -3.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -2.1130 -2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -0.5730 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 0.8990 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -1.5270 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 0.0500 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 -2.3850 -2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 -2.7220 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1870 -2.4080 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 -2.8160 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2800 -0.0080 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2420 1.4590 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9290 3.5500 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9760 2.1100 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2480 2.9150 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2100 4.3380 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 1.9910 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 1.8990 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 1.9180 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5150 5.0020 -0.6940 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 35 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 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 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 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 66 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 M CHG 1 66 -1 M END