OTAVA-ZINC06143543 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 1 0 0 0 0 0999 V2000 0.0840 1.6770 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 0.1470 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -0.3210 -0.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -1.6680 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -2.5240 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -3.8740 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 -4.4340 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -3.5700 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -2.1900 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 -4.5400 0.0290 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 -6.0150 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -5.7350 -0.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 -7.2970 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -8.5360 -0.1990 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3660 -8.5870 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 -9.6750 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 -9.0820 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 -7.6050 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0830 -6.7960 0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4160 -9.6740 0.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 -11.0240 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -11.9250 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -11.4830 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -10.9710 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -11.4040 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -12.3440 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -12.8560 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -12.4360 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -12.8840 -0.5280 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -8.5980 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -8.9270 -1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -8.9840 -2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -8.7130 -4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -8.3850 -3.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -8.3320 -2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 2.0340 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 2.0460 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 2.0410 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -0.2170 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -0.2220 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -2.1120 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -4.5230 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -1.5280 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 -12.8450 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -10.2380 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -11.0090 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -13.5880 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -12.8390 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -9.1390 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -9.2410 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -8.7570 -5.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -8.1730 -4.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 -8.0800 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 44 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 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 34 2 0 0 0 0 33 51 1 0 0 0 0 34 35 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 M END