IBS-ZINC05461382 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 0 0 0 0 0 0999 V2000 0.1900 1.4490 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 0.0180 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -1.6200 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -1.8880 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 0.3420 1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 0.8200 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 1.4240 2.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 2.6690 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 3.4150 2.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 4.5800 3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 4.5720 4.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 3.3320 4.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 2.8470 5.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5020 2.6020 4.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 1.6460 6.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 5.6960 5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 5.7760 6.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 6.7430 4.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 7.5670 5.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 6.8020 3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 7.8230 3.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 5.6690 2.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 5.6350 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 1.5750 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 1.6990 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 2.1740 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -0.6640 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -0.2530 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 -1.7650 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -2.2740 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -1.2070 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -1.7770 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -2.9120 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 1.1660 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -0.4660 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 1.5270 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -0.0310 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 0.8700 3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 3.6490 5.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8520 3.4810 4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5290 1.7480 3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2210 2.4020 5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 1.8560 6.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 1.4180 6.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 0.7420 5.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 5.4770 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 6.5680 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 4.8100 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -0.1790 0.2810 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0570 0.4050 -0.4500 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 27 1 0 0 0 0 2 28 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 49 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 34 1 0 0 0 0 5 35 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END