IBS-ZINC06658740 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 53 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3840 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0120 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.4190 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 1.8480 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 0.7360 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -0.3710 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -1.2890 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 3.2690 -0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7730 4.0100 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 3.8170 -2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 4.6780 -3.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 5.7300 -3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 5.9260 -1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 5.0620 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 5.0500 0.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 4.0370 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 3.7850 2.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 6.0290 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 5.5260 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 4.3380 2.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 3.7590 2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 2.6040 3.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 2.0170 3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 2.5810 3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 3.7330 2.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 4.3260 2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 1.8410 3.8430 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7030 3.2940 0.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.7700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 3.1740 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 0.7170 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 2.9950 -2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 4.5300 -4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 6.4020 -3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 6.7500 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 6.1640 2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 6.9810 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 6.2920 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 5.3070 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 2.1640 3.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 1.1180 4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 4.1710 2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 5.2270 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 2.8580 0.8040 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 31 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 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 41 1 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 22 44 1 0 0 0 0 23 24 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 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 31 49 1 0 0 0 0 M END