NIH-ZINC00251831 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -1.1670 1.1640 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -0.2040 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -0.1640 -0.8910 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 0.1090 -1.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 0.6200 -0.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -1.7720 -1.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -2.7890 -1.5590 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7300 -2.4270 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -2.8760 -3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -4.1560 -0.8010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6440 -3.9100 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -4.6210 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -4.4430 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -4.9860 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -5.5720 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -5.4720 -2.3330 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -4.8230 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8720 -5.9640 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -7.5710 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -6.3880 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -8.2410 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.8940 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 1.5330 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 1.1200 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -0.5560 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -0.9200 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -1.8990 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -1.9490 -3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -3.0000 -3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -3.6960 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -3.9350 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -4.9470 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -6.0550 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 -4.0540 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -4.3860 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9070 -5.6200 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 -6.3540 -2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 -7.9960 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -8.3500 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -6.0450 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -6.7790 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4490 -8.6440 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6660 -7.8440 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -9.0020 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -5.2610 -1.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -7.1130 -0.4760 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9030 -6.7520 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 45 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 45 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 46 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 45 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END