IFLAB-ZINC04315135 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -0.0500 1.4780 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -0.0160 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -0.5050 0.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -1.8420 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -2.6270 0.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -2.2470 2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -3.6930 2.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -4.3490 3.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -3.7990 4.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -5.8640 3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -7.8530 4.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -8.3510 5.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -8.2960 6.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -6.8750 7.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -6.3820 5.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -8.8350 8.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 -8.2580 8.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 -7.4220 8.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 -9.0140 9.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -8.8890 10.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7850 -9.8700 11.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 -10.9190 11.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 -11.0210 10.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 -10.0460 9.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 -9.9210 8.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 1.6950 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 1.8970 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 1.9850 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.2180 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.5130 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -1.9680 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -1.7790 3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -4.1910 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -6.1600 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -6.2710 2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -7.8020 3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -8.4910 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 -9.3790 5.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0160 -7.7460 5.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -8.9500 6.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -6.8500 7.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -6.1850 7.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -6.9930 5.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -5.3360 6.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3770 -8.0750 10.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6100 -9.8140 12.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 -11.6670 12.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 -11.8330 10.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -6.4640 4.6320 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5990 -5.8330 4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 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 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 49 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 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END