IBS-ZINC00190269 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 0.5940 2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 2.8660 1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 3.7950 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 5.1480 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 5.8380 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 7.1810 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 8.3670 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 9.5750 1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 9.6970 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 8.5940 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 7.3360 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 6.0840 0.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 5.8160 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 5.3460 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 5.0820 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 5.2860 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 5.7530 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.0240 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 10.9190 1.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 5.2120 1.2510 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4250 4.7700 2.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 5.0960 0.2190 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 0.3640 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -0.3200 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 1.0200 2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 3.2140 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 3.4460 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 8.2840 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 10.4560 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 8.7270 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 5.1860 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 4.7170 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 5.0780 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 5.9110 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 6.3940 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 11.1490 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 1.5580 1.2130 N 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 41 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 41 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 21 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 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END