IBS-ZINC05219634 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 -0.0270 0.6470 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.8360 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -1.1400 1.2250 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7260 -0.7260 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -2.6510 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.5470 2.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -0.1480 3.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -0.2820 3.6560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 0.1030 4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 0.6240 5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 0.7810 5.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 0.3660 4.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 1.3340 6.4960 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 0.7490 6.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 0.5330 8.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 2.3500 8.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 2.5470 7.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 1.6470 10.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 0.8440 7.1190 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2220 1.6230 7.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 0.2410 8.0810 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8320 -0.0880 4.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 1.0260 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 0.8090 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.2390 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -1.1830 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -1.3850 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -3.1050 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -3.1290 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -2.8880 2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -0.4120 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 1.4220 6.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -0.2230 6.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 0.2300 8.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -0.2200 8.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 1.6240 9.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 3.3030 9.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 2.8900 7.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 3.3560 6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 0.9000 10.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 1.3220 10.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 2.6140 10.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 -0.5540 4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3890 0.2470 5.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 1.8220 8.8170 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8160 2.5260 8.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 45 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 45 1 M END