IBS-ZINC06754775 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 -1.8530 0.6230 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 1.2710 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 3.0660 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 3.5560 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 4.9810 1.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 5.5730 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 4.9990 -1.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 7.0850 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 7.6000 1.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 7.6300 -1.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 8.9640 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 9.4670 -2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 10.9020 -2.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0190 11.3870 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 10.1630 -0.2740 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 12.8230 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 13.7410 -2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 13.2300 -3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 11.8310 -3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 8.5790 -3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 7.3610 -3.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 9.2360 -5.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6340 8.4000 -6.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -0.3710 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 0.7010 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 0.8310 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 1.3240 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 0.2600 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 1.9790 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 3.1040 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 3.6840 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 3.0550 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 3.3450 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 5.5940 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 6.9750 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 12.9790 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 13.0890 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 14.7570 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 13.7950 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0710 13.2000 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0760 13.9280 -4.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 11.9180 -4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 11.4230 -4.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 7.8690 -6.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 7.6940 -6.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 9.0390 -7.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 1.6340 0.3750 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4690 1.5740 1.3620 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 47 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END