CHEMBRIDGE-ZINC00444124 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 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 1.0610 -0.5970 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -0.7280 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -2.0770 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -2.4170 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -3.5450 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -1.2910 0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -0.1480 0.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7730 0.4660 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 0.6760 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 2.0550 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 2.8120 2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 2.1890 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 0.8100 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 0.0540 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 2.9980 4.7880 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2970 4.2130 4.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 2.4500 5.8520 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9920 -1.2190 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4810 -1.2010 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2620 -0.2340 1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.9690 -0.0100 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 -2.5330 2.5420 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 3.8890 2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 0.3230 4.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -1.0230 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 -0.3100 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4030 -2.0880 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 -1.9860 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6120 -0.2210 2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 0.5500 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -3.8920 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END