CHEMBRIDGE-ZINC04980647 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 0.1750 1.3620 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -0.1730 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -0.7080 1.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5360 -0.1000 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -2.2170 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -2.9940 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -2.3570 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -0.8530 0.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0470 -0.3730 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -0.4530 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -3.0230 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -3.3710 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -3.2230 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 -3.9190 1.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 -3.6030 2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -3.7730 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9850 -4.7800 1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6890 -5.9270 2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6890 -6.8010 3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0240 -6.5330 2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3580 -5.4040 1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3420 -4.5460 1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0780 -7.4380 3.1650 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.7390 -8.4240 3.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2480 -7.1640 2.8630 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9080 -0.7180 -1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 1.7750 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 1.6470 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 1.8610 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -2.4280 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -2.5350 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -4.0750 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -1.0960 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 0.5760 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -2.5260 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -4.0830 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 -4.4120 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -2.7300 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3050 -2.1620 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9100 -3.6160 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9050 -2.5610 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 -4.2060 3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -3.4130 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 -4.8170 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 -6.1840 2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4000 -7.6770 3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3910 -5.1680 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6370 -3.6580 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -0.3010 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -1.8050 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -0.4420 -2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -2.9520 0.0890 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7150 -1.9670 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 52 1 M END