IBS-ZINC02272427 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 -0.0530 1.1220 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -0.3610 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -1.1020 0.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -1.4640 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -1.2040 -1.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -2.2240 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -2.5700 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -3.3430 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 -3.6060 -0.6110 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -2.7320 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -2.5730 -2.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 -3.0690 -3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1480 -3.7310 -3.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -2.7380 -4.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -3.5330 -7.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 -3.8880 -8.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 -2.7770 -8.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 -2.3810 -7.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 -1.9350 -6.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -3.8780 2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -3.7880 3.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 -2.5200 3.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 -2.2380 2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -2.6670 4.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0430 -1.3820 3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 1.7030 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 1.3350 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.4610 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -0.7180 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -0.5510 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -2.0230 -2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -1.6820 -5.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -3.3700 -5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1890 -4.4040 -7.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 -2.7060 -7.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -4.1520 -9.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 -4.7500 -8.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0950 -1.5500 -7.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0620 -3.2100 -7.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 -1.0840 -6.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9660 -1.6890 -5.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3420 -3.3280 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 -4.9350 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -2.8700 2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -1.1920 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -3.5090 4.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -1.7600 5.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -2.8850 5.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 -1.6440 4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -0.4510 4.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5270 -1.1760 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 -3.0690 -6.0500 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.0440 -3.8500 -5.6650 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 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 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 53 1 0 0 0 0 M CHG 1 52 1 M END