IBS-ZINC04088974 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.8890 0.9610 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.3340 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -0.9500 1.2540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0240 -0.9780 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -0.0680 1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -2.4080 0.9280 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1890 -2.9770 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -2.4950 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -2.8100 0.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -3.0910 2.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -3.4820 3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -3.3690 3.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -4.0960 4.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -3.7870 4.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 -4.3650 5.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -5.2530 6.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -5.5720 6.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -4.9810 5.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -6.4870 7.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -6.7040 8.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -5.9540 7.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -5.9180 8.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 1.7600 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 1.3000 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 0.8160 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -1.0510 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -0.1330 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 0.1210 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 0.9020 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -0.5320 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -3.2690 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 -3.0740 4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -4.1210 5.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -5.2130 4.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -6.9380 7.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -7.3230 9.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -2.2720 -1.3840 O 0 5 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 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 37 -1 M END