CHEMBRIDGE-ZINC00069231 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7300 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.0960 2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.8500 3.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -2.2410 3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.8900 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1470 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7360 -0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.0030 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6710 -1.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.8190 -2.7200 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -4.5440 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -5.4520 -3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -5.8520 -3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -6.6850 -5.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -7.1180 -5.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -6.7180 -5.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -5.8890 -3.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -8.0090 -6.7650 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0970 -8.3610 -7.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -8.3900 -7.2410 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 0.9820 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.3610 4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -2.8150 4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -3.9690 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -4.7230 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -4.7470 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -5.5140 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -6.9980 -5.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -7.0560 -5.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -5.5800 -3.4710 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 11 2 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 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 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 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 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