IBS-ZINC05197854 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 1.5850 0.4560 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -0.4250 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -0.7440 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -1.6750 0.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 -2.3510 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 -3.2140 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -3.4260 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -2.7700 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -1.8520 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -0.2950 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -1.0410 3.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 1.1510 2.9550 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6740 1.7870 3.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 2.0190 5.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 2.4160 5.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 1.6640 5.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 1.2410 4.0950 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0010 0.2530 4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 2.1980 3.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 1.7210 3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 2.5810 3.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 3.9310 3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 4.4090 3.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 3.5630 3.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 5.7080 3.0130 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 1.6890 6.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 0.4260 7.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 1.4500 9.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -0.9050 9.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 2.0520 3.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 0.2700 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 0.2640 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 1.5090 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -2.1560 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 -3.7570 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 -4.1300 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -2.9230 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 0.6700 3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 2.1970 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 4.6100 2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 3.9910 3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 1.8080 6.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 2.5750 7.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 0.2740 7.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -0.4490 6.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 1.1820 9.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 2.4550 9.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 1.3940 10.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -1.5600 8.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -1.2620 9.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -0.8260 10.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 1.7310 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 0.4700 8.8350 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5990 0.7680 8.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -1.1070 -0.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 55 2 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 12 17 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 30 2 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 26 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 53 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 53 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 53 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END