IBS-ZINC04812861 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 0 0 0 0 0999 V2000 0.1680 1.5050 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.0440 -0.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -0.6650 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 -0.1290 -0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -2.1270 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -2.8500 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.2190 0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -4.9380 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -6.4480 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -7.2090 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7270 -9.4230 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -9.3310 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -2.7940 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -4.0230 -0.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -1.9440 -0.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -0.5260 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 0.4240 -0.9380 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -2.6310 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.8330 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 1.8760 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 1.9560 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -2.3520 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -4.7340 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 -4.6600 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -4.6550 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -6.7070 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 -6.7270 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 -6.9040 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 -7.0410 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2560 -9.2870 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 -8.9950 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 -10.4800 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -8.9010 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 -9.1370 2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -10.4050 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 -3.7200 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -2.3020 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -2.3800 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 -8.7050 0.3580 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9380 -8.8480 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 2 0 0 0 0 3 5 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 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 39 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 39 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M END