NIH-ZINC02975283 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.2150 -0.6640 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.3320 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 2.0610 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 1.9990 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 1.0480 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 1.8120 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 2.8690 -0.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 3.7780 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 2.9360 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 3.0010 -1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1190 2.2420 -1.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2280 4.0900 -2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5580 4.0200 -3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6050 5.1260 -4.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8790 5.0580 -5.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9700 4.2980 -6.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0110 3.6710 -6.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2600 4.2460 -7.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4320 3.4830 -8.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6600 3.4660 -8.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7270 4.2070 -8.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5620 4.9660 -7.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3340 4.9920 -6.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1310 5.7420 -5.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8610 6.2630 -5.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9300 5.7580 -4.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 6.7050 -3.3760 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8150 4.0170 -9.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2980 3.4870 -10.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0870 2.8160 -9.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 1.9240 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.5620 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -1.7440 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 3.1410 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 0.3340 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 0.5160 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 2.2610 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 1.1290 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 4.4150 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 4.3930 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 2.3770 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 3.5910 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4050 3.9570 -3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 5.0610 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3800 4.1530 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6490 3.0480 -3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7830 4.9930 -5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5140 6.0970 -4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6080 2.9100 -8.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3890 5.5370 -6.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0790 4.2930 -11.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0020 2.7800 -10.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.0080 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 55 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 55 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 28 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 25 2 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 30 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END