PUBCHEM-ZINC06073713 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 -0.0540 1.6420 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 0.1500 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -0.3840 0.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -0.5280 -1.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -1.9870 -1.4140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5010 -2.2040 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -2.7370 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -2.2880 -1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -2.5590 -2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -2.1680 -3.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 -1.4940 -2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 -1.2230 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -1.6070 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 -1.1280 -3.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0160 -0.4760 -2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8200 1.0390 -2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0940 1.8140 -1.2070 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.3620 -1.3750 -4.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 -2.7850 -4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3540 -3.0720 -6.3250 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -2.4340 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -1.6360 -0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -3.7970 -0.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -4.3850 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 -5.9010 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -6.4410 -0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -6.5780 0.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 -8.0360 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 -8.5210 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -7.5840 1.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 1.9810 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 1.9170 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 2.1340 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 0.0030 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -3.8100 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -2.6790 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -3.0920 -3.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -2.4290 -4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -0.7000 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -1.3700 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0080 -0.6970 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0400 -0.9010 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8560 1.3150 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8670 1.4610 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1280 -0.6480 -4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 -1.1840 -5.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 -3.5520 -4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8270 -2.9270 -4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -4.4660 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 -4.0900 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -4.0250 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 -6.1130 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -8.3780 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 -8.4450 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5900 -9.7720 1.1880 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 M CHG 1 55 -1 M END