IBS-ZINC05180492 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -1.8460 0.3740 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.6180 0.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1000 -1.4720 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -1.0970 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -1.9890 1.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -1.2970 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -0.8160 -1.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1110 -1.6760 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 0.0240 -0.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -0.0270 -1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -2.4870 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -3.8560 2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -4.3100 3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -3.4260 4.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -2.1300 4.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -1.6630 3.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 -1.2420 5.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 -1.7390 6.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -0.5600 7.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 0.2650 7.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -5.6650 4.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -4.8060 1.5390 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6920 -5.2830 0.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -5.1120 1.5900 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4580 1.2280 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 0.7150 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -0.1160 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.2370 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -1.6370 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -0.4410 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9830 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.6680 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 0.3150 -2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 0.8340 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -0.2900 5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -2.2720 7.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 -2.4150 6.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -0.9340 8.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 0.0250 6.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 1.0340 8.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -6.3030 3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -5.9740 4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 4 29 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 30 1 0 0 0 0 6 31 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 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 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 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 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 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END