PUBCHEM-ZINC04684302 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 0.0850 0.1160 -1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.7600 -0.3320 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1330 -1.3760 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 0.1090 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.3520 1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 0.0790 2.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -1.3120 1.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -1.6240 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -2.4610 -0.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -1.9440 1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -1.7520 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -2.3720 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 -3.1890 2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 -3.3820 3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -2.7640 2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -4.2520 4.2850 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0240 -3.9550 5.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 -5.2660 4.3350 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.1760 -3.8180 2.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4230 -3.7150 2.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5280 -4.4860 2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8110 -4.3810 2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0970 -5.3350 1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3300 -5.3650 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3680 -4.3770 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6790 -3.0250 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6800 -3.1790 2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 0.7750 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.5170 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 0.7160 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -0.0770 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 1.1660 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 -1.1160 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 -2.2220 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -2.9170 3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 -4.3210 3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7100 -2.6670 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2770 -4.1380 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2420 -5.5340 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6740 -4.0640 3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4060 -6.1600 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0680 -5.0940 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7510 -6.3710 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1740 -4.2620 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7700 -4.7440 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1550 -2.7260 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4240 -2.2730 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2210 -3.2990 3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0560 -2.2880 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END