NIH-ZINC00645783 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 -1.3400 0.6000 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -0.2990 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -1.0950 1.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -1.9420 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -2.0160 0.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -2.8010 2.9000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3650 -2.4720 3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -2.6870 2.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 -3.7180 3.8910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -5.1220 3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -5.2360 3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -4.2050 2.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -4.6170 1.3650 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -5.7940 1.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -3.4250 0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -5.0820 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -6.3520 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 -6.7170 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 -5.8110 -2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 -4.5410 -1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -4.1780 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 -6.2080 -3.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 -3.3040 5.1820 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5330 -4.4650 5.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 -2.0590 4.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -2.9950 6.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 -4.0260 7.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -3.7830 8.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -2.5100 8.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -1.4790 7.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 -1.7200 6.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -2.2460 9.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 1.2600 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 1.1970 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -0.0180 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -0.9590 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 0.3190 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -2.8400 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -1.7000 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -5.4490 2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -5.7440 4.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -6.2230 3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -5.0830 4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -7.0600 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -7.7090 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 -3.8340 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -3.1870 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -6.6370 -3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -5.3290 -3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 -6.9460 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 -5.0210 7.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -4.5890 9.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -0.4840 8.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -0.9140 6.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -1.9700 10.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -1.4310 9.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -3.1440 10.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 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 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 M END