IBS-ZINC02395191 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.5660 1.5540 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 0.7680 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 1.2350 3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 1.9330 4.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 2.3930 2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 3.1370 3.3970 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 2.8890 5.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 2.2460 5.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 2.0530 6.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 2.4780 7.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 3.0770 7.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 3.3220 5.9440 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 3.6410 8.4720 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 2.8610 9.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 3.1410 11.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 2.3180 11.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 4.3710 11.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 4.8970 12.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0040 4.2160 13.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5130 4.8010 14.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 6.0730 15.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 6.7650 14.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6600 6.1770 13.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7160 6.7900 16.6950 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 1.4620 7.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 2.2480 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 0.6560 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 1.3910 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 2.4090 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 0.5060 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -0.0940 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 0.3600 4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 1.9250 4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 1.7760 9.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 3.2490 10.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 4.9670 11.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3530 3.2210 13.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2350 4.2550 15.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8330 7.7570 14.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 6.7360 12.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 1.1220 6.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 1.3810 8.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 1.4480 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 3.1840 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8770 1.4080 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4280 2.7140 1.6830 H 0 0 0 0 0 0 0 0 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 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END