IBS-ZINC04994250 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -0.9460 1.5670 2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 2.5330 4.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 3.9360 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 4.0160 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 5.4450 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 5.5770 -0.8290 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 5.8260 -1.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8800 4.9350 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 5.8840 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 5.6750 -3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 5.4560 -1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 5.2150 -2.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 5.6460 -4.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 6.2260 -3.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 7.1290 -4.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7780 5.5050 -3.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 4.1390 -2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0100 3.4980 -2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2100 4.2130 -2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1980 5.5760 -2.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9790 6.2170 -3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2950 6.3880 -3.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5630 5.7860 -2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 7.0740 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 8.3160 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7270 9.4440 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 9.3510 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5420 8.1290 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 7.0080 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6690 5.8370 0.4930 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 0.5870 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 1.9290 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 1.5010 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 2.9170 4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 1.5060 4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 3.1670 4.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 4.2150 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 4.5990 3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 3.3390 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 3.7030 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 6.1470 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 5.7370 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 5.5020 -4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8770 3.5540 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0320 2.4320 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1360 3.6750 -2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9730 7.2770 -3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7670 5.0060 -3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6400 5.3940 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3260 6.5620 -2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 8.4160 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 10.4000 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2770 10.2320 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4500 8.0470 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 2.5330 2.9910 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8660 2.1830 2.7860 H 0 0 0 0 0 0 0 0 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 1 55 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 43 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 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 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 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END