PUBCHEM-ZINC06068948 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0260 1.6040 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 0.1000 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -0.7170 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -2.1510 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -2.6520 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -4.0200 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -4.9520 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -4.5040 1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -3.1290 2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -2.7410 3.8650 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -1.8850 -1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -0.5380 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 0.1680 -2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 0.9310 -2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 1.6070 -4.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 1.5380 -4.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 0.7620 -4.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 0.0850 -3.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 2.2510 -6.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 1.5790 -7.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 2.2530 -8.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 3.6140 -8.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 4.3000 -7.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 3.6240 -6.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -0.0240 2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 0.1510 3.2890 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0010 1.9800 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 2.0780 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 1.9380 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.3740 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -6.0150 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -5.2290 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 1.0000 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 2.1820 -4.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 0.6860 -4.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 -0.5090 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 0.5130 -7.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 1.7130 -9.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 4.1390 -9.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 5.3630 -7.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 4.1850 -5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 0.3710 2.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 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 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 2 0 0 0 0 M CHG 1 26 -1 M END