IFLAB-ZINC05258384 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -1.8830 2.2700 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 0.9050 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 0.4160 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -0.8360 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -1.6040 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -1.1220 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 0.1340 -1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 0.6220 -2.6720 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -0.2340 -3.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -1.4300 -3.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 0.2950 -5.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -0.8710 -6.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2790 -0.4840 -7.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -1.7660 -5.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -2.9250 -5.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -2.6760 -7.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -3.5490 -6.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -2.6700 -7.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -1.5710 -5.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -0.7560 -6.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -2.9440 0.6220 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0750 -3.3700 1.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -3.6210 -0.2010 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1160 3.0180 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 2.2870 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 2.4930 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 1.0140 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -1.2150 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -1.7220 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 1.5780 -2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 0.9800 -5.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 0.8230 -5.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -3.2960 -6.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -2.2030 -8.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -4.3070 -7.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -4.0330 -5.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -2.2170 -8.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 -3.2810 -6.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 -0.9170 -6.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -2.0240 -4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -0.2920 -7.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 0.0180 -5.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -1.2740 -5.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -1.6410 -6.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 -1.8860 -5.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 43 45 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END