IFLAB-ZINC04248501 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.6930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -2.0420 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -2.7560 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -4.0990 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -4.2440 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -3.0320 0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -2.1120 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -0.7030 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -5.5550 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 -5.5980 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -6.8730 1.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -7.3600 2.5340 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3810 -8.5990 2.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 -7.2000 3.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0780 -6.2100 2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3130 -6.4290 2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3410 -5.5280 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1330 -4.4050 3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 -4.1860 3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 -5.0910 3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6680 -2.9640 4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -2.9620 5.0970 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 -1.8140 3.8610 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.5510 -2.9800 5.7110 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.1380 -3.5230 3.3920 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -0.1400 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -2.5620 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -4.8950 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -0.1840 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -5.6510 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -6.3760 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -5.5020 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -4.7770 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 -7.4320 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4750 -7.3050 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3060 -5.7000 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9060 -4.9230 4.0320 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 10 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 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 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 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M END