IBS-ZINC04863013 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 0.5910 1.2320 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -0.1360 0.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -0.4530 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 0.3530 0.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -1.7880 0.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -2.4240 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 -3.5110 1.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4860 -3.0510 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -4.5440 1.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5300 -4.9100 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -3.7620 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -2.7020 0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -2.6100 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -3.3560 -1.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -1.6080 -1.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -1.4680 -3.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -5.4190 1.9930 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0050 -3.7490 1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1440 -4.7570 1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3910 -4.1990 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5530 -5.1570 2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6210 -6.2570 3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6910 -7.1500 3.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7030 -6.9530 2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6440 -5.8650 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5720 -4.9720 1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 1.3660 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 1.8860 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 1.4920 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -1.6810 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -2.8370 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -3.2820 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -4.4280 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -0.6330 -3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -1.2400 -2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -2.3740 -3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2620 -2.8350 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 -3.5000 2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3750 -5.0070 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 -5.6920 2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1760 -3.9780 3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6740 -3.2420 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8400 -6.4240 4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7340 -8.0000 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5360 -7.6480 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4340 -5.7120 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5400 -4.1300 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 -4.3340 1.2190 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9870 -4.7140 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -5.1520 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 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 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 17 -1 M CHG 1 48 1 M END