PUBCHEM-ZINC02955993 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.4570 4.0470 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 3.2510 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 3.0260 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 3.5910 -1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 4.3790 -0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 4.6120 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 5.0240 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 6.1440 0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 4.2550 -0.5720 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 4.6420 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6050 3.7540 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0310 4.0420 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7180 3.4660 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0740 3.7360 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7610 4.5720 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0770 5.1380 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7150 4.8800 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7980 5.9890 -1.8820 N 0 3 0 0 0 0 0 0 0 0 0 0 12.0360 6.0160 -1.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1340 6.6050 -2.7290 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9400 6.0600 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 6.9310 -0.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3430 6.1730 1.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 7.2960 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1690 8.5110 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8020 9.5540 2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1990 9.3910 3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9630 8.1850 4.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3170 7.1480 3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3930 7.9930 5.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 6.9130 6.0580 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0110 3.2910 -3.1090 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 4.2300 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 2.8130 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 2.4140 -3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 5.2340 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 3.3080 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3960 2.7210 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2010 2.8120 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5950 3.2940 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8170 4.7690 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1800 5.3280 -1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2290 5.3540 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 8.6750 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9910 10.4970 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6970 10.2090 3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 6.2080 3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0800 8.9190 6.0320 O 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 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 43 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 2 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 31 -1 M END