CHEMBRIDGE-ZINC04988963 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 0.1420 1.6050 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 0.0770 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4850 -0.3320 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -0.4110 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -1.9240 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -2.4190 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -1.9630 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 0.0290 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 -0.2910 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 0.3650 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 0.0540 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3910 -0.9170 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 -1.5730 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 -1.2560 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7850 -1.2540 0.1960 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.3370 -0.6500 1.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3250 -2.1250 -0.4980 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1720 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 1.9950 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 2.0400 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.0890 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 0.0510 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -2.3920 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -2.2210 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -3.5130 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -2.0510 2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -2.3740 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -2.2740 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -0.4050 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 1.1160 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 1.1300 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2430 0.5770 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2250 -2.3270 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -1.7750 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -0.4460 0.1580 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6620 -0.0700 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 35 1 M END