NIH-ZINC04196923 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 1.2280 -1.8330 -2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -1.4660 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -2.0500 0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -1.8200 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -1.1500 1.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -2.3810 2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -2.1430 3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -2.6690 4.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -3.4350 4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 -3.6730 3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -3.1560 2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -3.9660 5.8040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -5.2800 6.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 -6.1470 5.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 -5.5120 7.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -4.0890 7.7700 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3040 -3.8620 8.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 -3.2030 6.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 -1.9940 6.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -2.6820 8.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1040 -2.6300 8.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7450 -2.7360 7.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2840 -4.0340 6.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 -4.0450 6.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3330 -1.5860 6.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0150 -0.6990 5.7410 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2460 -2.7450 7.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0430 -2.8350 6.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4190 -2.8440 6.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9990 -2.7630 7.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2010 -2.6720 8.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8250 -2.6590 8.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -2.9180 -2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -1.3950 -3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -1.4480 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -0.3820 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -1.8510 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -1.5480 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -2.4860 5.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -4.2680 3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -3.3460 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -5.9920 8.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 -6.1100 7.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1220 -2.6210 9.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 -1.8430 7.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3940 -1.6870 9.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4400 -3.4600 9.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 -4.0940 5.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6230 -4.8870 7.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4190 -3.2000 5.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4240 -4.9750 5.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5900 -2.8980 5.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0420 -2.9140 5.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0740 -2.7700 7.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6540 -2.6090 9.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -2.5850 9.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1910 -3.9430 7.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 57 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 57 1 0 0 0 0 25 26 3 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 M END