IBS-ZINC05271210 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 0.4650 1.8090 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 0.3680 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -0.5510 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -0.1670 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -1.0970 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 -2.4390 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -2.8300 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -1.8880 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -2.3720 -0.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -1.5320 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -1.9400 -0.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -0.1140 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 0.6630 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 1.1680 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 2.3360 -1.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 0.2030 -2.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 0.4960 -3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 1.1510 -3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3130 1.4430 -4.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6970 3.4470 -3.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5700 1.8420 -5.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 -3.2730 -0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 -4.6380 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 -0.5300 0.1840 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.2310 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 2.4590 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 1.8940 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 0.8590 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -3.8520 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 0.0420 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 1.5190 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -0.7610 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 1.1510 -4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 -0.4530 -3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2500 0.4880 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 2.0740 -2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 2.1600 -5.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4360 0.5120 -5.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2050 4.0550 -4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 3.5080 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7350 3.7620 -3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6260 0.7750 -5.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1220 2.4020 -6.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5690 2.2190 -5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -5.1220 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.7390 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 -5.1490 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7030 2.0110 -4.2970 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.1450 1.4580 -3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 48 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 48 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END