IFLAB-ZINC04341759 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 0.3830 1.4680 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -0.0210 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -0.6660 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -2.0300 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -2.7540 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -2.1030 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -0.7380 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -2.8850 -1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -4.1380 -0.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 -5.0300 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -6.3000 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -6.1150 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -4.8450 -1.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -7.4150 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -7.2150 2.3510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -6.0030 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -4.9330 2.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -9.0350 0.3770 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -9.9890 1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -11.4480 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -11.8080 0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -12.3530 2.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -13.6990 2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -14.6480 3.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -15.8740 2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -15.9640 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -14.3430 0.6960 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 1.6710 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 1.8780 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 1.9320 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -0.1020 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -2.5330 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -0.2300 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -2.9980 -2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -2.3530 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -3.8690 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -6.8950 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -5.8870 3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -9.8600 2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -9.6370 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -12.0660 3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -16.7330 3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -16.8730 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 18 19 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 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 M END