IBS-ZINC04871495 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -2.4970 0.0340 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -0.5060 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -0.4550 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.2510 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -1.6020 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -2.4030 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -2.8540 -2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -2.5230 -1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -1.7220 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -1.2570 -0.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -1.4510 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 0.2310 2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -0.2970 2.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 1.6500 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 3.3570 4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 3.6740 5.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 1.3810 6.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 1.1300 4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 3.1870 8.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 2.6350 8.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 1.7160 9.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 1.1810 10.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 0.9770 11.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 0.4450 12.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 0.1000 11.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3130 0.2810 10.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 0.8140 9.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 1.0630 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -0.5620 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 0.0200 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 -1.2580 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -2.6750 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -3.4750 -2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -2.8790 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 2.3190 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 1.8470 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 3.7140 3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 3.9230 3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 3.4240 6.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 4.7320 5.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 0.8420 6.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 1.0790 6.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 0.0580 4.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 1.3640 4.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 4.2790 8.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 2.8190 8.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 3.0390 8.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 1.3310 10.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 1.2380 12.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 0.2970 13.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 -0.3150 12.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2240 0.0010 9.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 0.9280 8.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 1.9190 3.9840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 2.8650 6.5330 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7720 3.1380 6.1860 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 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 54 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 55 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 55 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END