IBS-ZINC04137409 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -2.9750 1.2310 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 0.6530 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 3.0660 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 3.6890 2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 5.0350 2.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 6.2330 2.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2510 6.1180 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 7.2660 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 6.7730 2.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 5.3130 3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 4.5410 3.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 7.4130 3.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 8.6760 1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 9.5380 2.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 9.0150 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 8.3790 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 8.7160 -1.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 9.6840 -2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 10.3290 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 9.9940 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6150 11.2880 -1.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 11.7280 -2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 6.4850 2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 6.9840 1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7650 7.2500 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9440 7.0210 3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8840 6.5340 4.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 6.2740 4.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1010 6.2440 6.3380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4280 0.2400 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 1.2070 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 1.9460 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 0.6500 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -0.3260 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 0.9230 2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 3.6710 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 3.0090 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 3.7180 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 3.0950 3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 6.7340 3.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 7.6410 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 8.2330 -2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 9.9160 -3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 10.4980 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2350 10.9150 -3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 12.5150 -2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 12.1590 -3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 7.1790 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5860 7.6420 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9060 7.2320 4.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 5.9070 4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 1.6660 0.8200 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0770 1.6810 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END