IBS-ZINC06760122 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.6460 -0.1680 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -0.8830 -0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -0.9640 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -0.3350 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -0.5150 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -1.3170 1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -1.9450 2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -1.7610 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.3850 1.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 0.1430 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0900 -0.4520 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2940 -1.8640 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -2.6950 -0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6190 -2.1310 -0.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4050 -1.1070 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5960 0.3780 0.2690 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.7700 -1.1430 -0.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.4230 -2.3790 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4540 -2.8460 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7560 -0.4440 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7100 -0.0370 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5640 -2.1500 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8170 -1.3840 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7690 -1.2700 -0.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.6320 -0.9050 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -0.2330 -2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -0.6170 -2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 0.8910 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 0.2950 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -1.4630 2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -2.5730 2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -2.1230 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 1.2010 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9170 -2.1840 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7070 -3.1890 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0200 -3.7030 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9810 -3.1030 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2890 -0.6310 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5240 0.3290 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2250 0.8840 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2090 0.2010 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2630 -1.9710 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7260 -3.2220 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7250 -1.9140 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8280 -0.3750 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4480 -1.7330 0.4450 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.9880 -1.5370 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 46 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END