IBS-ZINC04084121 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 0.4200 0.9480 -1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.5620 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -1.0000 -1.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -2.3330 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -3.3130 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -4.6460 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -5.0070 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -4.0390 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -2.6940 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -1.6330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0490 -0.7040 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -1.3460 1.5310 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6220 -2.2860 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 -0.8520 2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 -0.5660 3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 0.4110 3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -0.0600 3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 -0.3250 1.8450 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8220 -0.8300 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7510 -1.0630 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -2.4660 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -1.3720 -3.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -0.8820 -3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 0.1380 -4.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 0.6820 -4.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 0.1980 -4.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7740 -0.8240 -3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3740 -1.3840 -3.3300 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 0.9010 1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 1.3410 -2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 1.2340 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 1.4220 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -1.0100 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -0.8200 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -3.0750 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -5.4010 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -6.0430 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -4.3580 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -1.6040 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 0.0530 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.5070 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -0.1640 3.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 0.5210 5.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 1.4020 3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9010 -0.9710 3.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3370 0.7100 3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1170 -1.7570 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6090 -0.0910 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 -1.4940 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 -0.1370 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6300 -3.0540 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -3.1900 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -1.3010 -3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 0.5010 -4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 1.4740 -5.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5330 0.6190 -5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 1.6200 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -2.0580 -0.5250 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9040 -2.9150 -0.0170 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 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 58 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 29 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END