IFLAB-ZINC04248435 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.0260 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -2.6710 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9280 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.5320 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.1060 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.6160 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -3.8310 0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 -1.8970 0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3920 -2.5800 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5150 -1.5420 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8490 -2.2440 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8300 -2.0600 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8660 -2.8830 0.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0940 -3.1070 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9460 -3.9930 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5780 -4.6980 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3570 -4.4840 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4790 -3.5550 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2590 -3.1480 -0.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -2.5990 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -3.7500 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 0.0460 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 1.1850 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 -0.9280 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4830 -3.1990 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4650 -3.2090 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 -0.9230 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4420 -0.9120 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8030 -1.3880 1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3870 -2.5710 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9150 -4.1610 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2610 -5.4070 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0630 -5.0200 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 29 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 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 M END