NIH-ZINC04039270 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 1 0 0 0 0 0999 V2000 0.3650 -0.1660 -1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -0.9020 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -1.6630 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -2.1590 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 -1.7340 -0.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 -1.9380 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -0.9660 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 -0.3250 -2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 0.3340 -3.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 -0.4670 -2.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 0.1950 -4.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 -3.0280 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -1.8840 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -2.7880 1.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3610 -1.9850 3.2330 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2410 -2.3940 3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -2.1140 4.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -2.8690 3.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -3.1300 4.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -3.3490 2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -4.0460 1.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -1.4950 5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.1530 5.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 1.6320 6.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 2.2060 7.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 2.5330 8.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 1.4180 8.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 0.8350 7.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -0.5370 2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 0.3270 2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 1.6080 2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 1.7850 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 0.2760 2.9100 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -1.3390 0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 0.8510 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -0.1350 -2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -0.6820 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 -0.1870 -5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0610 1.2690 -4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 0.0010 -4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -4.0670 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 -2.9330 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -2.7110 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -2.1520 6.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -1.3320 5.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 0.5060 4.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -0.3150 4.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 1.3280 6.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 2.3890 5.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 3.1060 7.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 1.4670 8.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 1.7480 8.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 0.6560 9.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 1.5800 6.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -0.0480 7.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 0.0480 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 2.4040 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 2.7140 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -3.5940 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 0.4640 6.6250 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 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 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 34 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 59 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 M END