NIH-ZINC04201154 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2050 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4280 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0930 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -0.6870 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 0.0210 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 -0.7840 -0.0620 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 0.2120 -0.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2470 -1.7730 0.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 -1.6510 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 -1.1640 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 -2.0310 -3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3610 -3.2220 -3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 -3.2940 -1.8640 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9860 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 0.9910 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 -0.1690 -2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2910 -1.7630 -4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -4.0210 -4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 -1.9890 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 -2.4600 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 26 2 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 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 23 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 26 27 1 0 0 0 0 M END