PUBCHEM-ZINC04557186 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0200 -0.6160 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6720 -1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.1360 -1.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5560 -2.5130 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -2.6290 -1.0710 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9250 -2.2220 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -2.1580 -2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.6700 -3.5650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2000 -2.2010 -3.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -2.6490 -2.4830 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6140 -3.7390 -2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -2.1120 -2.6240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9960 -1.0220 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 -2.6240 -3.9290 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6520 -3.7140 -3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -2.0860 -4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6670 -2.6570 -5.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -2.1760 -5.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -2.5590 -1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -2.1600 -4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -2.9380 -5.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -4.0990 -3.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -4.7170 -4.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -6.1020 -4.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -6.7280 -5.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -5.9750 -6.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -4.5940 -6.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -3.9640 -5.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -6.6480 -7.9410 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8740 -7.8650 -7.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -5.9860 -8.8330 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4820 -4.0570 -1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.1820 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 -1.0680 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 -2.5510 -2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 -2.3530 -3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 -1.0020 -4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 -2.3600 -5.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -1.2140 -5.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -3.5210 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -6.6910 -3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -7.8070 -5.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -4.0080 -7.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -2.8850 -5.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -4.4380 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -0.8430 -4.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -0.5640 -5.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 34 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END