IBS-ZINC02200746 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 0.9870 1.5640 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 0.1120 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -0.8600 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.2140 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -2.6010 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.6550 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -0.2900 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 0.7140 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -4.0280 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -4.5210 -1.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -4.7350 1.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -6.1870 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -6.6570 2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -4.6250 3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -4.1510 2.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -6.6860 4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -6.5350 6.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -7.1940 7.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -6.7490 7.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 -5.7810 7.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -7.5540 8.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 -7.2200 9.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6010 -8.0110 10.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -9.0920 11.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -9.3460 10.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -8.6060 9.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 1.9700 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 2.1400 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 1.7000 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 -0.5620 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -2.9540 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -1.9850 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 1.2890 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 0.2260 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 1.3950 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -6.5280 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -6.6370 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -6.2690 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -7.7500 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -4.2960 4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -4.2510 3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -4.4530 2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -3.0600 2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -7.7500 4.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -6.1680 4.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -6.9740 6.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -5.4790 6.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -8.0140 7.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 -6.3720 9.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 -7.7850 11.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -9.7210 11.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -10.1790 10.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -6.1470 3.6370 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2920 -6.5190 3.7010 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 53 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END