IBS-ZINC05178142 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 -0.3810 1.5160 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 2.6810 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 2.6120 3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 2.4480 3.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 1.3480 3.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 1.4230 1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 3.1600 4.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 4.5200 5.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 5.0880 6.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 4.3430 7.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 3.0370 6.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 2.4390 5.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 2.2230 7.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 2.7070 9.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 1.5540 9.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 2.0030 11.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8160 0.8690 11.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 1.2070 12.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 6.4270 6.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 5.3810 4.1220 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1910 5.3400 3.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 6.1080 4.4360 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6480 1.5140 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 2.4160 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 0.6150 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 3.5850 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 2.6350 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 1.7450 3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 3.4870 3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 0.3930 3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 1.3690 3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 0.5310 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 2.3210 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 1.2530 7.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 3.1370 9.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 3.4920 8.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 1.1010 9.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 0.7500 9.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 2.4090 11.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 2.7730 10.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7280 1.5850 13.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2400 1.9520 12.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9180 0.3030 13.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 7.0820 6.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 6.7400 7.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 1.4930 1.1940 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1620 0.6360 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 46 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 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 19 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 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 46 1 M END