PUBCHEM-ZINC01532226 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 44 0 0 1 0 0 0 0 0999 V2000 -2.4730 0.6370 2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 0.0580 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 1.1640 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -1.1240 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -1.8740 -0.5790 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8700 -1.1950 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -2.6990 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -3.8630 -0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -2.0220 -1.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -2.5670 -2.1630 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9610 -3.2800 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 -3.1980 -3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 -4.5100 -3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -5.6470 -2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -4.9260 -5.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6290 -1.4190 -2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 -0.2620 -2.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -2.8500 -0.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -2.5180 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -1.3790 -0.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 -3.7020 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 1.4550 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -0.1290 2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 1.0270 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -0.3010 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 1.5210 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 0.8190 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 2.0190 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -0.7530 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -1.8410 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -1.0420 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 -3.3890 -3.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 -2.4650 -4.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -4.3480 -3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 -6.5770 -2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -5.4280 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3390 -5.8290 -3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -4.1450 -5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -5.8410 -5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -5.1120 -5.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -3.8160 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -4.5740 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 -3.4660 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -3.9350 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8410 -1.7740 -2.3670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 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 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 35 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 40 1 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 M CHG 1 45 -1 M END