CHEMBRIDGE-ZINC04755629 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.3030 1.1730 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -0.2330 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -0.6940 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 0.1310 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -0.4250 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -1.8100 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -2.6490 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -2.0960 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -2.8290 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -4.2490 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -4.8200 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -5.0870 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 -5.6020 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -5.8460 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -5.5700 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -5.0550 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 -2.4160 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1660 -1.6990 -0.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2940 -2.5230 -0.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3930 -1.8510 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4820 -0.5010 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7180 0.0740 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8920 1.2860 0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8250 -0.9660 0.0560 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.4700 -0.8080 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9630 -2.5780 -0.1370 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.5670 -0.8840 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8060 -1.7690 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4710 -1.8040 0.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 1.3570 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 1.6460 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 1.6170 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 1.2130 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 0.2320 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -3.7230 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -4.6150 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -4.5840 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -4.8910 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -5.8080 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 -6.2450 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -5.7510 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -4.8330 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -3.5210 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6310 0.0410 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9050 -1.1240 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9140 0.1430 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0210 -2.3420 2.5070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 M CHG 1 47 -1 M END