IBS-ZINC04083981 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 64 0 0 1 0 0 0 0 0999 V2000 0.0050 0.9180 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.6090 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.0740 0.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7090 -0.5740 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -0.7260 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -2.5880 0.1470 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6210 -2.8350 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -3.0450 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -3.5480 2.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 -2.8960 1.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 -3.3410 2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -3.0580 2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2080 -2.0030 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -3.4070 4.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1680 -3.1250 4.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8170 -3.9750 3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6520 -5.0310 3.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 -3.6260 1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 -3.9090 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2970 -3.6970 3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7860 -2.8970 3.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0790 -4.3370 2.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5180 -4.0660 2.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8810 -3.8800 3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2480 -5.2750 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0530 -6.4840 2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6580 -7.7260 1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7480 -6.2280 3.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7780 -2.8550 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8560 -2.2770 0.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 1.3490 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 1.2490 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 1.2430 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -1.0400 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.9340 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -1.2260 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -1.0570 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 0.3520 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -2.4940 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0920 -2.8030 3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -4.4110 3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -2.8020 4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -4.4630 4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3340 -2.0690 3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 -3.3740 5.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 -2.5700 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6570 -4.2320 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 -4.9640 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2490 -3.6600 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6890 -4.9760 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8440 -5.4980 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3120 -5.0510 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9880 -6.6450 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5640 -8.5770 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 -7.9370 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7120 -7.5470 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3170 -5.3440 4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6090 -7.0900 4.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8130 -6.0680 3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -4.2580 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0340 -2.4180 1.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -3.2620 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -3.0480 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1510 -1.6370 0.4840 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 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 62 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 60 62 1 0 0 0 0 61 64 1 0 0 0 0 62 63 1 0 0 0 0 M END