IBS-ZINC02124739 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -2.0960 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -2.6950 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.7950 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -2.1790 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -0.7740 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -0.1320 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 -0.8740 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -2.2690 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -2.9190 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -4.4240 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 -4.3530 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7360 -2.9750 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -6.4450 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -7.0210 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8550 -8.5180 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 -9.3310 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 -10.7040 1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 -11.2640 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -10.4490 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4800 -9.0760 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 -12.9880 0.2210 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 0.0620 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 0.9460 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 -0.3780 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -4.7660 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -4.7560 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6080 -4.8460 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 -4.4340 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 -6.8760 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 -6.6870 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 -6.7800 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -6.5900 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 -8.8940 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 -11.3400 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -10.8850 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9540 -8.4400 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 0.2380 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -0.5270 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 1.0180 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -4.9860 0.4150 N 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 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 25 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 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 30 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 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 46 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END