PUBCHEM-ZINC04959390 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 0.4950 2.0780 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 0.6010 -0.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9740 0.5320 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -0.2850 0.9860 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7440 -0.0180 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -1.7740 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -2.6020 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -3.9500 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -4.1140 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -2.6530 0.4830 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 0.3850 2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 0.4080 3.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 1.3060 4.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 0.9030 4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 0.8910 3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 0.1500 -1.4950 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -0.3120 -2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.3520 -2.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -0.7780 -3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -1.6560 -3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -2.0970 -4.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -1.6680 -6.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -0.7990 -6.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -0.3610 -4.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 0.4930 -4.9840 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 2.2060 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 2.6490 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 2.5370 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -2.2640 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -4.7590 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -5.0250 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -0.3330 1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 1.3840 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 0.7600 3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -0.5920 4.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 1.6160 5.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -0.0830 5.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 1.8880 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 0.5030 3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 0.1920 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -2.0210 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -2.7850 -4.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -2.0160 -7.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.4590 -7.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -0.0230 2.3700 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0970 -0.9460 2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 45 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END