NIH-ZINC04099435 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 54 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7040 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0760 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7970 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0790 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -3.2280 -2.5420 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -4.5690 -1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.1310 -0.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -5.9080 -1.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -6.8590 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -6.5440 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -8.3150 -1.1970 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9940 -8.5220 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -8.6410 -2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -10.1120 -2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -10.9980 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -10.5930 -0.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -9.1810 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -11.7060 0.1930 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -11.1750 1.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -12.9710 0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -11.7540 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -11.3540 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 -11.3780 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 -11.8040 -2.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -12.2390 -3.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -12.2180 -2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -12.6580 -2.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -13.0410 -4.3560 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -12.6910 -4.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1640 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6070 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1400 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -6.1600 -2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 -8.4570 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -8.0090 -2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -10.3370 -3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -10.3020 -3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -10.8750 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -12.0410 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -9.0250 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -8.9110 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 -11.0060 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 -11.0500 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 -11.8130 -3.5710 H 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 32 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 M END