IFLAB-ZINC04249095 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -0.7280 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -1.1700 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -1.2910 -3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -0.8370 -2.7770 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -1.8280 -5.1500 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -1.3050 -5.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -1.5660 -5.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -3.4750 -5.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -4.0500 -4.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -3.5320 -5.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -4.0970 -5.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -5.1800 -4.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -5.7060 -3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -5.1410 -3.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -6.8700 -2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -7.5720 -2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -8.5730 -1.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -9.6070 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -10.3580 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -9.6990 -0.2490 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -8.4230 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -7.4150 -2.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 -0.5860 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -1.3990 -2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -4.0410 -5.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -2.6840 -6.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -3.6900 -5.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 -5.6190 -4.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -5.5480 -3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -7.3880 -2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -9.8010 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -11.1990 0.5020 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 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M END