CHEMBRIDGE-ZINC00461582 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 0.0520 1.2490 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.1800 0.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -0.7810 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -0.1080 0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -2.1930 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -2.9210 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -4.2850 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -4.6560 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -3.3000 0.0870 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -2.3420 0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7890 -3.1170 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -4.3280 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 -2.4960 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 -1.5970 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8160 -1.0220 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6290 -1.3330 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1960 -2.2230 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9470 -2.8020 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4830 -3.7480 -2.2690 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2450 -4.1110 -3.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 -4.1650 -2.2460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0830 1.6020 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 1.6160 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 1.6180 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -5.0000 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -5.6820 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 -1.3800 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9350 -1.3540 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1600 -0.3260 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6050 -0.8800 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 -2.4620 -2.1670 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END