IBS-ZINC05246783 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 0 0 0 0 0 0999 V2000 0.2490 1.0490 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 1.0130 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 1.5280 2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 1.0460 2.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3350 1.1230 3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9680 1.6320 5.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6920 2.8380 5.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2510 3.3360 6.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0870 2.6090 7.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3500 1.4210 7.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8000 0.9300 6.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0910 0.5280 8.9000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.5770 3.1070 8.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9620 2.7800 8.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4140 3.3280 10.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8240 4.6670 10.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2190 5.1860 11.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1960 4.3700 12.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7810 3.0460 12.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3850 2.5240 11.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5730 4.8700 13.7520 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.9510 4.5090 6.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2180 5.2360 5.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -0.0430 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 1.4620 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 1.4320 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -0.0810 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 1.3850 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 1.1820 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 2.6250 2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 1.4290 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -0.0470 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3530 0.0270 3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 1.5020 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8090 3.3820 4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2420 -0.0040 6.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5690 3.2190 7.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1100 1.6920 8.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8300 5.3100 9.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5380 6.2190 11.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7620 2.4290 13.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0480 1.4920 11.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8190 6.1100 5.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2900 5.5970 4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8000 4.6360 4.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 1.5010 1.2970 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1180 1.1870 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 2.5300 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9010 1.5520 3.6840 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4120 1.2390 4.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 2.5810 3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 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 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 M CHG 1 46 1 M CHG 1 49 1 M END