PUBCHEM-ZINC05966541 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 0 0 0 0 0 0 0 0999 V2000 -0.0510 0.0100 -3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -0.5510 -1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 0.2650 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 0.8920 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 0.4820 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 1.8730 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 1.9180 0.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 3.1700 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 4.3210 0.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 4.4180 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 5.3670 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 4.8640 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0690 3.4620 0.4660 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1660 2.4930 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3770 1.9300 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 0.6350 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3330 -0.5690 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6410 0.2490 -2.8660 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 5.6860 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5590 5.2960 0.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0440 7.0590 0.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 7.6170 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 8.8310 0.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 6.6910 0.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 7.1590 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 8.0300 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 0.2270 -3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -0.7150 -4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 0.9320 -3.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -0.7680 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -1.4660 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 0.7540 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -0.8110 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 1.9630 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 0.4260 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 0.7770 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 0.2040 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -0.2880 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 2.5990 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 2.1470 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 1.1130 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0790 2.9730 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 1.7390 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 2.6800 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 -1.1480 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2070 -1.2150 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2840 -0.3140 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 6.8020 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 8.2500 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 6.7620 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0620 8.6110 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0120 8.7170 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1170 7.5650 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 0.4770 -0.8090 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3720 1.3970 -1.2070 H 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 30 1 0 0 0 0 2 31 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 54 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 13 1 M CHG 1 54 1 M END