IFLAB-ZINC04248493 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 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 -6.4320 2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3430 -5.5370 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1370 -4.4010 3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8850 -4.1840 3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8670 -5.0910 3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2300 -3.4400 3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3140 -3.6320 2.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0040 -2.2180 4.2610 C 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 -7.4710 -7.3100 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3070 -5.7120 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 -3.3090 4.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9010 -4.9260 4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6510 -1.3990 3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9390 -1.9310 4.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2570 -2.4400 5.0230 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 2 10 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 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 31 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 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 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 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END