PUBCHEM-ZINC06095051 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 2.2250 -0.6720 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -0.5510 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 0.5080 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 0.6340 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 1.6180 0.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 2.5350 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 2.5090 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 1.4750 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 1.3190 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 0.2610 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 2.4550 0.5230 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1780 2.0050 0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 3.8000 0.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 2.2060 2.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 1.0060 2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 1.2280 3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 0.1310 4.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3790 -1.1170 4.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2420 -1.9520 4.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8280 -3.1490 4.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1010 -3.5640 4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6990 -4.7080 4.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0240 -5.4540 5.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7560 -5.0680 6.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1580 -3.9220 5.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7570 -6.8630 6.5570 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -1.4910 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -1.2910 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -0.0840 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 3.3250 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 3.3050 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 0.1520 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 2.9950 2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 0.7750 3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 0.1450 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 1.4350 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 2.0530 3.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9510 0.9740 4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3960 0.3710 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0660 -1.2940 5.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5840 -1.7410 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6440 -2.9940 3.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6880 -5.0080 4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2230 -5.6540 7.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 -3.6560 6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4140 0.0020 3.8060 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8850 -0.2330 4.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3190 -0.8070 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 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 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 46 1 M END