IBS-ZINC05025644 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3820 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -0.5120 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -1.9790 1.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -2.4180 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -1.8900 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3160 -2.1650 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -0.4660 -1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -2.5000 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -2.4810 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -1.6400 3.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -2.0870 4.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -3.4570 4.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -4.3090 3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -3.7900 2.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -5.6800 3.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -6.5690 2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -8.0210 2.9450 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2470 -8.1410 3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -8.9710 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -10.2150 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -9.8700 4.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -8.4260 4.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -3.9940 5.7270 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6470 -4.2860 6.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 -4.1440 5.7440 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8950 -1.2000 5.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -0.0900 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -0.2100 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 -2.0260 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -3.5070 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -2.2240 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -2.1240 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -3.5850 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 -6.0520 4.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -6.4420 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -6.3230 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -8.5110 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 -9.2380 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -10.3710 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -11.0980 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -10.2570 4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 -10.2760 4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -0.2460 5.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -1.5320 6.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 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 11 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END