NIH-ZINC04302333 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 61 0 0 1 0 0 0 0 0999 V2000 6.4600 2.6160 5.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3770 2.4060 6.4510 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8250 2.0580 7.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 3.7830 6.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 3.8110 6.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 1.3930 6.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 0.0450 5.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7260 -0.4730 6.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -0.7520 5.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 -2.1630 4.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 -2.9780 4.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 -3.0110 5.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -1.6930 6.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -0.8320 6.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -4.1500 6.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -4.0890 7.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -5.5290 5.7280 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6650 -5.5230 5.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -5.8860 4.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -7.1030 3.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -7.3250 2.0950 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -8.8230 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -6.4740 6.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -6.2580 7.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -7.6130 7.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 -7.9930 6.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -8.2470 8.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -9.5070 8.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -9.3420 9.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -9.8810 9.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -10.6030 7.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 2.9640 4.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 3.3580 5.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9980 1.6850 5.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 1.8030 5.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -0.2230 4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 -2.1030 4.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -2.6820 5.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -2.5220 3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -3.9770 4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -1.2200 5.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -1.7740 6.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -1.2570 7.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 0.1700 6.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -6.0710 4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -5.0260 3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -6.9690 3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -8.0090 4.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 -8.6390 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -9.6410 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -9.1190 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -8.4970 9.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -10.2450 9.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 -9.1380 8.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -9.9700 9.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -10.8270 10.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -9.0990 10.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -10.4220 6.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -11.5860 7.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -10.6450 7.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 4.6860 7.2010 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 61 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 M CHG 1 61 -1 M END