PUBCHEM-ZINC05515035 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 0 0 0 0 0999 V2000 0.0310 0.7910 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -0.5320 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -0.8520 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 0.1560 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 1.5050 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 1.7960 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 2.4870 -0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 3.8800 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 4.5910 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 5.9650 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 6.7120 -0.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 5.9470 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 4.6060 -0.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7260 6.3750 -0.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5200 5.2590 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 4.1610 -0.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 7.7340 -1.0730 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3280 8.4110 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8690 7.9660 -2.4320 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6000 7.1600 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 9.2240 -2.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0410 10.1280 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 8.9480 -0.6640 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1510 9.8690 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1690 8.0600 -0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5180 8.2840 -0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8440 8.0800 0.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0310 7.7190 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7110 9.4260 -3.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2590 9.2320 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 8.2580 -3.3950 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4040 -0.3040 0.1700 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 1.0470 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -1.3100 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -1.8850 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 2.8140 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 2.1310 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 6.4760 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5960 5.3090 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5270 7.3010 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3020 8.9050 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 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 16 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 31 -1 M END