IBS-ZINC02133130 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -1.2130 2.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.1610 1.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 0.4060 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -0.6470 2.6130 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3830 -1.6520 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -0.6760 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 -1.7270 2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 -1.7540 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 -0.7290 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 0.3220 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 0.3460 1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 0.2730 3.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 1.2350 3.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -1.2870 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -1.5690 -1.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 -1.7840 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -2.5900 -1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 -3.0290 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8030 -2.6750 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3040 -1.8770 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 -1.4250 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 -0.6230 1.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -0.3670 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 -0.2000 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 0.4970 1.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 -2.5280 3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 -2.5750 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9870 -0.7500 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6180 1.1230 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 1.1660 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 -2.8670 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 -3.6540 -2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8230 -3.0260 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9320 -1.6060 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 0.0240 4.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 0.6420 5.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 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 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 18 19 1 0 0 0 0 18 29 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 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 43 44 1 0 0 0 0 M END