IBS-ZINC05518848 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0640 1.4310 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.0330 0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -0.7410 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -0.0860 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -0.8190 3.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -2.2060 3.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -2.8690 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -2.1460 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.8260 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -2.0580 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -0.6620 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 0.0030 -2.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -2.7060 -2.5070 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5330 -3.9190 -2.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -2.0250 -3.5090 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0660 -4.2020 -0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -5.0040 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -6.4660 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -7.0800 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -8.4220 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -9.1540 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -8.5350 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -7.1920 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -9.4580 -1.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -10.7400 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -10.4650 -0.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 1.8280 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 1.8000 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 1.7540 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 0.9930 2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -0.3090 4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -2.7650 4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -3.9480 2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -4.6380 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -4.7330 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -4.8140 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -6.5110 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -8.8990 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -6.7100 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -11.1120 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -11.4530 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 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 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 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 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END