PUBCHEM-ZINC06088429 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7430 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -0.9090 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -0.4550 1.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -1.5630 2.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 -1.7240 3.4280 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6580 -1.8540 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -2.9540 4.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -4.1930 3.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -4.6540 3.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -5.7910 2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -6.4670 2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -6.0060 2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 -4.8720 2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 -0.4990 4.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 0.6240 4.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 0.7750 3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 1.5100 5.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 2.7930 5.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 3.4210 6.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 2.7800 6.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 1.5170 6.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 0.8610 5.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 -0.3590 4.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8240 -1.4370 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.1160 -1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 0.0550 -2.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -1.0600 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -2.1920 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 -2.3770 -1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -1.4290 -2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -0.2960 -3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -0.1150 -2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 -1.6610 -3.1030 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.7250 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -0.1920 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.9260 3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -2.8640 5.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -3.0230 4.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -4.1260 3.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -6.1510 2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -7.3550 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 -6.5340 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 -4.5140 3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 3.2970 5.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 4.4190 6.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 3.2840 7.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4020 1.0270 6.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -2.9320 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 -3.2620 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 0.4440 -3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 0.7680 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 1 0 0 0 0 17 19 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 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 M END