NIH-ZINC04143715 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -2.5260 2.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -3.8500 2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -4.6400 1.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -4.3500 3.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 -5.8800 3.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -6.3860 5.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -7.9160 5.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -8.4230 6.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 -9.8880 6.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -10.7070 7.3000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -12.0900 7.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 -10.1080 7.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -10.3680 8.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -11.1850 9.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 -10.9210 10.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -9.8350 11.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 -9.0170 10.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 -9.2880 9.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -9.5730 12.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 -8.4380 13.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.8940 3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -3.9720 3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -3.9980 4.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -6.2570 3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 -6.2310 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 -6.0090 5.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -6.0350 5.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -8.2940 5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 -8.2680 4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 -8.0460 6.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -8.0720 7.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 -10.3780 5.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 -12.0300 9.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -11.5600 11.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 -8.1700 11.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -8.6540 9.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 -8.5670 13.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -7.5390 12.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -8.3430 14.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 M END