IBS-ZINC04039301 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -1.8220 0.8470 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -0.3440 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.7740 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -1.9730 0.7720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -2.8810 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -3.9820 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 -4.2040 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -3.3350 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -2.1670 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -1.2000 -0.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.2690 2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 0.5350 2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 1.0730 1.6760 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9900 0.2330 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 1.7940 2.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 1.8320 3.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 2.3970 4.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 1.0260 3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 0.7960 5.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 2.4010 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 3.9250 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5470 4.1860 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 6.0720 1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 1.9580 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 1.6500 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 2.4790 -1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 3.6030 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 3.9410 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 3.1090 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.6680 3.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.4530 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 0.5390 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 1.4770 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -2.6710 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -4.7180 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -5.1030 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -3.5050 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 2.1760 2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 1.9110 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 4.2010 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 4.3750 2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8930 4.4690 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7260 3.1090 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5030 4.7120 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 6.3030 2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1430 6.4530 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 6.4810 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 0.7570 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 2.2480 -2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 4.2790 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 3.4180 1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -0.2630 4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 4.5710 1.6570 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4860 4.2570 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 53 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 53 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END