IBS-ZINC04625163 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 0.6860 1.0870 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -0.1710 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -0.6800 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -1.5610 -1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -2.9040 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -3.3850 0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -3.7420 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -5.0430 -2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -5.9890 -3.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -7.3890 -2.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -8.1890 -4.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -10.3250 -5.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -11.7750 -5.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -12.4850 -4.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -11.8990 -3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -10.4540 -3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -3.1780 -3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -3.8320 -4.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -1.8420 -3.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -0.9990 -2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 0.1830 -2.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 1.3970 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 1.8290 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -0.8780 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -1.2290 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 0.1470 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -5.4640 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -5.6220 -4.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -7.4830 -2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -7.7870 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -8.1860 -4.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -7.7580 -5.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -9.7630 -6.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -10.2730 -5.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -12.2840 -6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -11.8280 -4.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -12.4990 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -11.9570 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -10.3990 -3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -9.9980 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -1.4130 -4.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -9.6390 -4.0870 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0310 -9.6490 -3.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 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 39 1 0 0 0 0 16 40 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END