PUBCHEM-ZINC05118768 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.0620 1.2130 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 0.9790 1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 3.0860 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 3.4270 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 4.9270 2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 5.2410 3.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 5.5470 4.8670 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7470 4.6210 5.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 5.9080 5.6660 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5810 5.4760 4.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0190 5.1870 3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 4.9300 2.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 5.3530 4.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 5.1900 7.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 4.1310 7.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 5.7360 8.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 5.1610 9.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 5.9230 10.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 7.0640 9.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2560 7.2050 7.9480 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 6.6620 4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 7.8410 4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 8.8580 4.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 8.7230 5.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 7.5650 5.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 6.5360 5.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 7.4280 6.7910 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0190 8.1020 6.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 6.6500 7.7500 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0190 0.1220 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 1.6580 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 1.5920 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 1.4510 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.0950 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 1.1400 2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 3.4370 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 3.5280 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 2.8700 2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 3.1280 3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 5.4970 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 5.2420 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 6.9930 5.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 4.2260 9.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 5.6470 11.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5580 7.8190 9.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 7.9750 3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 9.7600 3.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 9.5260 5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 5.6390 6.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 1.5860 0.9650 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4110 1.1570 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 50 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 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 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 50 1 M END