IBS-ZINC04137408 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.5780 1.0740 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 0.5860 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 2.8720 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 3.6720 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 5.0130 -0.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 6.2150 -0.6420 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6350 6.2250 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 7.4140 -0.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5320 6.7530 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 5.2670 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 4.4710 1.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 7.2950 1.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 8.5490 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 8.7270 1.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 9.4140 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 9.7250 -1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 10.5070 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 10.9710 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 10.6630 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 9.8960 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 11.0390 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2340 11.8050 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 6.1610 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 6.2310 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 6.1920 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 6.0770 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 6.0050 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 6.0460 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 5.8560 3.3720 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -0.0100 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 1.4360 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 1.5600 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 0.8910 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -0.4730 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 0.7830 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 3.2150 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 2.9590 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 3.7560 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 3.1540 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 7.7840 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 9.4000 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 10.7610 -3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 11.5730 -2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 9.6600 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 12.0130 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 11.2440 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 12.7650 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 6.3300 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 6.2580 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 6.0520 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 6.0010 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 1.3890 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1930 1.0780 -0.1620 H 0 0 0 0 0 0 0 0 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 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 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 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 2 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 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 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 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END