IBS-ZINC05271646 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 0 0 0 0 0 0999 V2000 0.5110 0.9760 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -0.4020 0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -0.7160 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 0.1740 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -0.2440 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 -1.5650 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -2.4590 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -2.0430 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -2.8880 1.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -4.1420 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -4.5550 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -5.8640 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -6.2120 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 -5.2320 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -3.9610 -1.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -3.6540 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -5.5810 -2.2000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 0.7020 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 1.5410 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8140 1.3830 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0280 2.2650 -2.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3800 3.3240 -4.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7440 3.2290 -6.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3310 1.9600 -6.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4230 0.8890 -6.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0400 0.8520 -4.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 1.0450 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 1.4520 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 1.4990 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 1.1980 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 -1.9130 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -3.4710 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -4.8780 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -4.0920 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -6.6170 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -7.2210 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -2.6230 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 0.4470 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 1.7370 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 2.5680 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 1.2400 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9870 1.6520 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0510 0.3300 -2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9020 1.9760 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7840 3.3130 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8740 4.2680 -4.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2630 3.2050 -4.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4780 4.0020 -6.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8660 3.3840 -6.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9220 -0.0460 -6.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5380 0.9930 -6.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9200 0.7090 -4.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3030 0.0670 -4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 0.6540 -0.9180 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4180 0.8900 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 -0.3280 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4180 2.1890 -4.3880 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.5710 2.3260 -4.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 57 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 54 1 M CHG 1 57 1 M END