CHEMBRIDGE-ZINC04591618 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 57 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.5340 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -2.0130 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -1.3150 0.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -2.3210 -1.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 -1.8140 -1.0670 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1140 -0.8170 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 -2.7510 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -2.7210 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6170 -3.8310 2.1790 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 -3.6620 3.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 -1.7490 -2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -2.0910 -3.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8350 -1.3110 -2.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -1.2750 -4.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6640 -0.7600 -4.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -1.6430 -4.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0220 -1.1710 -4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2570 0.1850 -4.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1950 1.0680 -4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8980 0.5950 -4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6460 0.6900 -4.4720 N 0 3 0 0 0 0 0 0 0 0 0 0 13.5810 -0.0880 -4.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8520 1.8850 -4.5920 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.4020 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -3.6240 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -2.3790 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 -2.8790 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8960 -3.7660 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0240 -2.4240 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 -1.7050 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 -3.0480 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5330 -4.2960 4.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 -2.6230 4.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 -3.9660 3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2030 -2.2800 -4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5870 -0.6150 -4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5430 -2.7020 -4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8520 -1.8610 -4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3780 2.1270 -4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0680 1.2850 -4.4080 H 0 0 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 2 7 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 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 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END