IBS-ZINC04037891 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0880 0.3080 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 1.0710 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 1.1090 -2.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 1.6620 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 2.3520 -2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 2.5210 -1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 2.9810 -2.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 2.0470 -0.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 1.7200 0.1160 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0020 0.7160 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 2.7400 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 2.2970 2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 3.2050 3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 4.5720 3.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 5.0310 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 4.1250 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 1.8690 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6870 2.1350 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9090 1.9040 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9500 1.4010 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7340 1.1500 2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 1.3790 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2650 1.1260 2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3260 1.3210 1.5190 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1890 2.7660 -3.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -0.6600 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 0.8690 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 0.1000 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 1.2350 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 2.8450 4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 5.2790 3.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 6.0980 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 4.5210 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7440 2.5130 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8370 2.1110 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7360 0.7620 3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 1.1470 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 0.6830 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2090 0.7180 3.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 25 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 39 2 0 0 0 0 M CHG 1 24 -1 M END