IBS-ZINC04399623 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.1660 1.2610 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 0.3380 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -0.4960 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -0.1530 1.8740 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 1.1040 2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -1.5390 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -1.7180 -1.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -2.4440 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -3.7490 -0.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -4.9430 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 -5.0490 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6510 -6.2930 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -7.4770 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -7.3780 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -6.1320 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 -8.8210 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 -8.8320 2.0360 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1470 -1.9070 -0.6030 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 -1.2790 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1830 -0.6510 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2570 0.0070 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3570 0.0660 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 -0.5480 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2710 -1.2050 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 0.7570 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 1.3310 1.2690 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9560 2.0010 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 0.2860 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 1.6670 3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -2.5580 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -3.7450 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 -4.1660 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3700 -6.3320 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 -8.2810 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -6.1040 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 -2.0400 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1530 -0.6720 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 0.4720 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3920 -0.5220 3.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 -1.6790 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 -9.8450 0.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 0.7110 3.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 29 1 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 18 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 41 2 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 42 2 0 0 0 0 M CHG 1 17 -1 M CHG 1 26 -1 M END