IBS-ZINC05177581 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.8300 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1150 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1020 -0.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7660 -1.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -3.2790 -1.5170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0500 -4.1830 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -3.2750 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -3.2420 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 -2.3230 -2.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -4.2300 -3.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -4.1960 -4.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -5.1470 -4.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 -5.1110 -5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2420 -6.1340 -6.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3590 -6.0980 -7.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -5.0440 -7.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -4.0240 -6.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 -4.0500 -5.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3910 -5.0100 -8.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6290 -6.0830 -9.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3420 -3.9000 -8.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -3.3400 1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.3790 2.5400 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.2080 3.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -0.1790 3.1100 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -3.3020 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -2.3710 -2.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -4.1510 -3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -4.9640 -3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -5.9650 -5.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 -6.9530 -6.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 -6.8880 -8.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 -3.2070 -6.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -3.2560 -5.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1600 -5.8260 -10.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7010 -6.2100 -9.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 -7.0130 -8.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7460 -3.8680 -7.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1550 -4.0460 -8.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8320 -2.9620 -8.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -3.6500 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -4.1460 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -3.1110 2.5130 H 0 0 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 6 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 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 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 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 34 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END