IBS-ZINC04081163 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 56 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -0.0730 -1.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2490 1.0060 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -0.4510 -2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 -1.2080 -2.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -0.7500 -0.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -0.2020 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 0.8510 0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -0.8980 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8420 -0.0720 2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 -0.7650 3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 -2.1470 2.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 -3.0020 2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 -2.2840 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0920 -2.6220 3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9670 -1.9060 3.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4070 -4.0420 2.6200 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8750 -4.2920 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9680 -4.9900 3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1720 -6.4380 3.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 -7.5620 4.6130 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9640 -9.2020 3.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.5840 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -1.5920 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -1.0030 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 0.0120 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 0.9230 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 -0.2340 3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 -0.7690 4.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -3.9480 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -3.1880 3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 -2.8640 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8190 -2.1790 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5630 -4.8000 4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 -4.8250 3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5770 -6.6290 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2260 -6.6040 3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3740 -9.3240 2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0230 -9.2990 3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6820 -9.9700 4.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3690 -3.9550 3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 0.0530 -3.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8530 -4.1810 2.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0820 -5.1070 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 -0.2180 -4.4650 H 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 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 53 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 54 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 52 54 1 0 0 0 0 53 56 1 0 0 0 0 54 55 1 0 0 0 0 M END