IFLAB-ZINC04139677 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 1.4010 -1.1500 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -0.3090 -0.4250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6750 0.7490 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -0.5960 1.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9240 -0.3110 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -2.0660 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -2.9640 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -4.2590 1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -4.4140 1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -2.8600 1.6580 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -0.0350 3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 0.7410 4.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 2.1240 3.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 2.3680 2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 1.6090 1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -0.6490 -0.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -0.0490 -1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 0.7750 -2.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -0.3620 -1.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 0.3340 -2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -0.3210 -3.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 0.3680 -4.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 1.7100 -4.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 2.3660 -3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 1.6820 -3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 4.0490 -4.2750 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -2.2040 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -0.9950 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -0.8510 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -2.7000 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -5.0830 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -5.3500 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 0.3200 3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -1.0980 3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 0.3500 4.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 0.6320 5.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 2.0240 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 3.4360 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 1.7460 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 1.9910 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -1.3060 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -1.0700 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -1.3680 -3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1020 -0.1410 -5.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 2.2460 -5.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 2.1950 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 0.1780 1.9200 N 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 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 47 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 46 1 0 0 0 0 M END