IFLAB-ZINC04163170 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.0630 1.3210 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 0.2430 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.2650 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 0.3500 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 1.4330 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 1.9240 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 1.8010 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 0.9230 -1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 0.0630 -1.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -0.6780 -2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 2.8760 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 3.5360 1.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8950 3.2480 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3670 2.9370 -1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 3.9640 0.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9290 4.4060 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0530 5.7030 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4600 6.2540 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3910 5.8330 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6900 6.3530 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0590 7.2990 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1540 7.7170 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8580 7.1930 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7460 7.9630 -0.1660 S 0 0 0 0 0 0 0 0 0 0 0 0 13.9600 8.3000 1.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5340 6.8300 -0.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7240 9.2180 -1.1460 N 0 5 0 0 0 0 0 0 0 0 0 0 13.1090 9.8860 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 1.7000 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -0.2130 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -1.1060 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 2.7650 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 0.8320 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 4.1910 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3090 4.5420 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5120 3.6060 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7200 5.5410 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3690 6.4600 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1080 5.1020 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4030 6.0260 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4510 8.4460 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1590 7.5300 1.5820 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 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 32 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 33 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 27 -1 M END