CHEMDIV-ZINC04937584 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -1.3100 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -1.5090 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -0.8520 0.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -0.3080 0.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -2.2990 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -2.8610 -2.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -2.3950 -0.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6630 -3.1760 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9220 -3.1220 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0170 -3.9260 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1550 -5.2700 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1590 -6.0080 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0260 -5.4000 -2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8900 -4.0550 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8880 -3.3170 -1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -1.8370 -2.1720 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8200 -2.9130 -2.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -1.1940 -3.2030 O 0 5 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7630 -1.9470 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8820 -2.7600 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3400 -4.2120 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7030 -3.5380 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2460 -2.0870 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4770 -5.7450 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2660 -7.0580 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8110 -5.9760 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5670 -3.5800 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7830 -2.2660 -2.0180 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 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END