IBS-ZINC06645544 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.2340 1.3240 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -0.1790 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -0.7080 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -0.4530 2.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -0.6800 -0.2330 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4150 -0.1350 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -0.4300 -1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -1.3070 -1.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -2.1180 -0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -2.6310 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 -1.9450 1.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -4.1530 0.5110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9740 -4.5040 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -4.7020 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -6.2240 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -6.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 -6.1140 1.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -4.6380 1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -7.0540 2.6800 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 -6.3270 3.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 -8.4030 2.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -7.1300 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -6.1660 3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -6.2490 3.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -7.3010 2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -8.2730 1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -8.1950 1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 1.6720 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 1.5570 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 1.9050 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -0.0400 3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.0020 2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -1.5270 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -2.7190 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 -4.2780 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -4.4070 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -6.5970 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -6.6390 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 -6.4130 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 -7.7960 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 -4.2840 2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -4.2150 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -5.3470 3.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -5.4950 3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -7.3650 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -9.0970 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -8.9660 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 0.5860 -2.2430 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 48 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 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 47 1 0 0 0 0 M CHG 1 48 -1 M END