IFLAB-ZINC04139390 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.4060 -3.1370 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -2.1520 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -1.1420 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -1.3260 -3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -3.7470 -3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -3.6160 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -2.7390 -5.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3800 -3.8200 -5.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 -2.2190 -5.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7940 -2.9760 -6.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -2.1910 -6.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 -0.8550 -6.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -0.5530 -6.0510 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -2.2260 -6.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0540 -1.1610 -5.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -2.9730 -5.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -2.3540 -7.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -1.4460 -8.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5410 -8.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -1.6270 -9.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -1.2890 -10.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -1.4400 -12.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -1.9160 -12.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -2.2360 -11.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -2.0890 -10.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -3.0820 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -4.1670 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -2.9100 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -1.1310 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -2.2590 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -1.0530 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -0.2580 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -1.3050 -3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -0.4550 -3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -4.6380 -3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -3.9290 -3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -4.4620 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -3.5710 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 -4.0510 -5.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 -2.5870 -6.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -0.0400 -6.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -2.8010 -4.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -2.6430 -6.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -4.0520 -5.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -3.1370 -7.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -0.9110 -10.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -1.1820 -12.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -2.0300 -13.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 -2.5910 -11.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -2.3090 -9.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -2.3430 -0.9840 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6550 -2.3980 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -2.5680 -3.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 51 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 53 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 53 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 51 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 53 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 39 1 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 42 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 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END