PUBCHEM-ZINC06075592 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 -3.7690 0.5550 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -0.8430 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -1.6750 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -3.2110 0.4800 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -2.7000 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -1.4160 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -0.6990 -2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -0.0360 -2.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 -0.7740 -3.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -0.0390 -4.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -0.9350 -5.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 0.3960 -5.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -3.4770 -2.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -4.7330 -1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -5.1850 -0.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -5.5550 -2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -6.7580 -2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -7.1430 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -8.4290 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -8.7830 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -7.8680 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -6.5940 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -6.2270 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -8.2560 3.2380 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1010 -9.3770 3.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -7.4540 4.0830 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.9680 -1.3470 2.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 1.2470 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 0.8390 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 0.5900 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 0.8420 -4.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 -1.8150 -5.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -0.3820 -6.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -1.2440 -5.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 1.0340 -4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 0.9490 -6.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 -0.4840 -5.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -3.1180 -2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -5.1970 -3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -7.4380 -3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -9.1430 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -9.7750 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -5.8860 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -5.2340 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -1.6230 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -1.9020 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -0.2780 2.3540 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 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 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END