CHEMBRIDGE-ZINC04998313 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.3890 1.4980 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -0.0150 -0.0800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1420 -0.5140 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -0.3500 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -1.8580 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -2.2860 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -1.9450 -1.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -0.4960 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -2.4390 -2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -1.9660 -2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -2.4540 -4.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -3.4180 -4.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -3.8900 -4.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -3.4080 -3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -3.9170 -2.6780 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2970 -4.7660 -3.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -3.4870 -1.6360 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8800 -3.9130 -6.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -4.0290 -6.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -3.7970 -5.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 -4.4480 -7.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 1.9970 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 1.7360 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 1.8400 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 0.1810 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -0.0480 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -2.0970 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -2.3870 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -1.7670 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -3.3620 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -0.2720 -2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 0.0140 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -1.2160 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9870 -2.0860 -4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6400 -4.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -4.1710 -6.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -4.6110 -8.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 -3.6640 -7.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 -5.3710 -7.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 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 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END