IFLAB-ZINC02966099 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 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 0.0230 -0.7020 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0850 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7780 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0940 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6970 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.0110 -2.3950 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1150 0.3500 -3.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 0.9750 -4.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 1.2040 -5.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 1.1900 -4.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -0.0340 -4.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 0.1260 -2.4320 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 1.3680 -4.2190 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1560 0.4340 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 2.8110 -3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 3.6230 -4.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 4.9100 -3.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 5.1450 -2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 3.6860 -2.7440 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 1.1270 -5.4910 O 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 0.0240 -0.1670 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6260 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -3.8580 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.6360 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 2.1720 -5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 0.4310 -6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 2.0890 -4.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 1.1950 -5.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 -0.0870 -3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -0.9360 -4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 0.9800 -2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -0.4150 -3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 3.2990 -4.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 5.6680 -3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 6.0870 -2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 1.3690 -5.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 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 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 22 41 1 0 0 0 0 M CHG 1 8 1 M END