IBS-ZINC05016727 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -5.2450 1.6180 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 0.7970 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 0.8770 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 0.3600 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -1.2610 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 -2.3770 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -3.6220 1.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 -4.0580 2.6990 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4890 -3.2600 3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 -5.2480 2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -5.5500 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -4.5020 0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -4.4440 -0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -6.5590 1.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -5.9140 4.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -5.8720 4.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -6.5870 4.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 -7.8160 5.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -8.4090 5.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -7.8590 5.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 -6.6570 4.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -5.9780 4.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 -4.3550 2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 -3.8380 3.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3430 -4.0950 4.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0300 -4.8740 3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3670 -5.4010 2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0040 -5.1450 1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7080 -5.1910 3.4580 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 2.1490 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 2.3650 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 0.9770 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 1.4180 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 0.0820 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 0.8740 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 1.8990 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 0.3560 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 1.0070 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -0.6550 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 -1.0070 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -1.5830 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 -2.1100 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 -2.5550 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -6.4510 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -8.2970 5.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -9.3700 5.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -6.2370 4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -5.0070 3.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 -3.2440 4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8560 -3.6920 5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9000 -6.0150 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5070 -5.5710 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 0.0130 0.2020 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7880 -0.2680 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 53 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 44 1 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END