IBS-ZINC00446491 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -0.1870 1.0060 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -0.3160 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -0.6720 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 0.2770 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 1.6050 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 1.9690 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -0.0740 -0.9920 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 0.8330 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 0.1010 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -2.0880 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -1.3460 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 -1.9020 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6960 -1.2550 -1.4060 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9340 -0.2900 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9440 -2.1110 -1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0850 -1.7550 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2600 -2.5140 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3000 -3.6480 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 -4.0270 -2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -3.2600 -2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5360 -4.4370 -1.7240 N 0 3 0 0 0 0 0 0 0 0 0 0 14.5350 -4.0240 -1.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5040 -5.4700 -2.4080 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2180 -0.9470 -2.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 1.2850 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -1.0760 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -1.7120 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 2.3840 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 3.0050 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9650 1.2100 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 1.7000 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8510 0.7290 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 -0.1810 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -2.3910 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2530 -2.9660 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -2.0060 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 -1.1280 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3970 -2.9500 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6030 -1.8460 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0800 -0.8700 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1280 -2.2030 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1790 -4.9050 -3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -3.5620 -2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0040 -0.8110 -3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 -1.1860 -1.0940 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4630 -0.9310 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 45 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 45 1 M END