IFLAB-ZINC04519286 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2220 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0410 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1890 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7160 1.6040 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.4070 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2490 -2.1600 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -2.7480 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -2.8560 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -4.3210 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -4.8580 -0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8220 -4.5080 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -6.3640 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -7.1660 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -8.4960 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -8.4280 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -7.1350 -0.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -4.2620 -1.4790 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -2.8580 -1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -4.8580 -2.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -4.9500 -1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8370 -4.3700 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -5.1020 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9350 -6.2770 -1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -6.5050 -1.9850 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -0.4780 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -2.3870 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -4.6700 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -4.6790 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -6.8530 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 -9.3950 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -9.2720 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 -3.4020 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9220 -4.7480 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7490 -6.9790 -1.4650 H 0 0 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END