CHEMBRIDGE-ZINC02903220 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5460 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -2.6690 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.7560 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.1790 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -2.6140 0.0370 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.0130 -3.8310 0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 -1.9620 0.0510 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8710 0.2570 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6460 1.0840 1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 1.1140 2.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4440 1.9110 2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5600 3.2120 3.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8750 3.5890 3.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2070 4.4820 3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6560 2.5110 2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7940 1.4140 2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3140 0.1730 2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6600 0.0300 2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5140 1.1090 2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0230 2.3420 2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.7480 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -4.4840 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -4.6370 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -4.5010 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6670 1.2700 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6050 -0.2120 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3920 0.6210 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4540 2.1030 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3580 0.0960 3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4200 1.5770 3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7380 3.8660 3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6540 -0.6720 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0610 -0.9310 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5760 0.9810 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6960 3.1760 2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 0.3070 1.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5380 -0.6220 1.7880 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END