NIH-ZINC04143610 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.2150 -0.6640 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.3320 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 2.0610 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 1.9990 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 1.0480 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 1.8150 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1120 2.8590 0.8040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 3.7660 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 2.9230 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4620 3.0100 1.7520 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0470 3.6700 2.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0970 1.7380 1.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5590 4.1130 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4880 5.4730 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3450 6.3390 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2900 5.8510 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3530 4.4870 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4960 3.6220 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4490 4.2240 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0200 5.6140 -1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2410 6.5490 -1.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4140 7.8850 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7160 8.5750 -0.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4770 8.5220 -1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5470 10.0520 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5110 10.1240 -2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0360 8.7540 -3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 1.9240 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.5620 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -1.7440 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 3.1410 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 0.5050 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 0.3440 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8690 1.1300 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 2.2740 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 4.3710 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 4.4130 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 3.5780 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 2.3540 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7590 5.8570 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2850 7.3990 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5560 2.5600 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2200 3.5870 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0370 3.7640 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0750 5.6620 -1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8920 5.8390 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4450 8.0300 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1740 10.4200 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5170 10.4700 -2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4790 10.1020 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7010 10.9260 -3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8660 8.8180 -4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 8.0750 -3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.0080 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 56 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 56 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 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 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END