IBS-ZINC04088902 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 -0.1620 1.1450 -2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.2350 -2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -0.7550 -1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 0.1000 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 1.4860 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 2.0050 -1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.4630 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 -1.1520 -1.3460 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8710 -1.9850 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 -1.6810 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5060 -0.9580 -0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 -0.2150 -2.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 0.0540 -3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -0.5490 -4.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 1.1790 -4.3250 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1000 0.8820 -4.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 2.5320 -3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 3.4490 -4.4040 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 2.1710 -5.6240 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4000 1.5340 -5.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 1.4010 -5.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 1.0610 -6.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 0.3730 -7.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 1.8080 -7.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 2.5360 -7.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 3.3640 -7.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 3.4580 -9.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 2.7270 -9.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 1.8870 -9.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 1.5480 -2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -0.9070 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -1.8340 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 2.1700 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 3.0810 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 0.3440 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -1.1650 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7810 0.2010 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 2.4550 -2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 3.1250 -3.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 3.9210 -7.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 4.1040 -9.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 2.8210 -10.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 1.3270 -9.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 -2.7460 0.2190 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 44 1 0 0 0 0 12 13 1 0 0 0 0 12 37 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 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 M CHG 1 44 -1 M END