IBS-ZINC06662727 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -4.7710 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -6.1200 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -6.9480 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -8.3170 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -8.8770 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -8.0390 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -6.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 -8.5750 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -10.3410 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -11.3020 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -12.5280 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -12.2190 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -11.0260 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -13.9150 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -11.0940 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -11.0040 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -10.8110 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -10.7060 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -10.7950 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -10.9950 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -11.0880 -2.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -10.9770 -3.6580 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 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -6.5170 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -8.9570 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -6.0170 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 -8.7350 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -14.2560 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -14.5940 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -13.8990 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -11.0840 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 -10.7400 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -10.5550 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -10.7130 -2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -10.0080 -3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -11.7700 -3.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -11.0680 -4.5190 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 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 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 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 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END