NIH-ZINC04015230 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3620 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 1.2230 -0.6840 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 0.0490 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4360 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 3.8470 0.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 4.2880 -0.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 4.2140 -0.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 4.3290 1.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 4.5860 2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 5.9620 2.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 6.0230 3.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 5.8920 3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 4.5190 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 -0.8850 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 -0.6980 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -2.1150 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -1.9980 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 -3.4230 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 -3.1660 -0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8370 -4.2480 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 -5.5280 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 -6.6250 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5150 -6.4480 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -5.1720 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 -4.0720 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8850 -2.4710 -0.1030 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.5670 -7.8290 -0.1270 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.8840 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 2.0050 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 3.8190 3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 4.5790 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 6.1130 3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 6.7380 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 5.9940 3.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 6.6680 2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 4.4660 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 3.7440 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -3.9980 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -3.9880 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -5.6670 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7270 -7.6220 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1210 -5.0360 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 M END