CHEMBRIDGE-ZINC00452865 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2140 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 0.0240 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.4030 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 3.5700 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 4.2840 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 5.6630 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 6.3380 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 5.6350 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 4.2550 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 7.8180 0.0320 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1630 8.4400 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 8.4150 0.0450 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2300 -2.0840 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -2.8160 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.4110 0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -4.2240 -0.3460 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9080 -4.3720 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -5.3540 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -6.6140 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -6.6300 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -5.3910 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -4.2440 0.2870 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6040 -4.4120 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -2.8420 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -2.4620 -0.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -0.5060 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 1.9520 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 3.7580 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 6.2170 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 6.1680 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 3.7080 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -5.4620 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -5.1560 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -7.5640 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -7.5910 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -5.1770 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -5.5360 0.1250 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 16 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 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END