IBS-ZINC02314540 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.6650 1.8450 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 0.3620 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -0.3600 -0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -1.7280 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -2.4860 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -3.8850 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -4.5250 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -3.7780 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -2.3900 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -1.6650 -0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 -5.9920 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -6.7460 0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -8.0850 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -8.9540 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -8.6370 0.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -10.4460 0.1710 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8360 -10.5560 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -10.9380 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -11.6010 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 -12.0500 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -11.8860 3.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -11.2450 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -10.7630 2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -10.9050 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -11.6660 -1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -13.0750 -1.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -13.4350 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -12.7620 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 2.4460 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 2.1010 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 2.1140 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 0.1170 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 0.1300 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -2.0260 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -4.4660 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -4.2480 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -0.7300 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -6.4220 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -8.4080 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -11.7770 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -12.5700 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -11.1250 4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -10.2580 2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -9.8260 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -11.2010 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 -11.4630 -2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -11.3580 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -14.5220 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -13.1710 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -13.0660 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -12.9970 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -11.2530 -0.0800 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7090 -10.9200 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 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 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 11 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 52 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END