IFLAB-ZINC04851694 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.0480 0.9340 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 0.7550 2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 2.9720 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 3.5810 2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 5.0340 2.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 5.8740 1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 7.1960 1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 7.6780 2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 6.9250 3.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 5.5590 3.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 4.7990 3.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 9.4150 2.7640 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 9.5880 4.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 11.0500 4.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 11.4760 5.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 11.7620 4.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 13.0950 4.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 13.6560 4.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 14.9920 4.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 15.4290 5.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 14.1210 5.5010 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 7.9190 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 6.8060 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 5.4710 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -0.1460 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 1.1720 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 1.4100 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 1.0330 2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -0.3220 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 1.0480 3.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 3.3660 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 3.2020 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 3.3010 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 3.1820 3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 9.0140 5.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 9.2240 4.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 11.3040 3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 15.6080 4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 16.4190 5.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 8.7240 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 8.3300 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1210 6.8800 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 6.8900 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 5.0370 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 4.7660 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 1.4620 1.3570 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8290 1.2240 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 46 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END