OTAVA-ZINC05374827 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 -0.1250 0.8860 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 0.2970 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -0.1930 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -0.0910 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 0.4970 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 0.9840 2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -0.5940 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 0.1660 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2120 -0.4150 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4540 -1.6120 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1260 0.5840 -0.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 1.8780 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4800 3.2850 -0.8360 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 1.8730 -0.1430 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5150 0.2070 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7240 -0.0580 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8360 0.0510 -3.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0230 -0.4250 -2.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4170 -0.7090 -3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9000 -1.0470 -3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3180 -1.3480 -5.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8070 -1.6850 -5.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2400 -1.9890 -6.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7250 -2.3350 -7.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4210 -2.3320 -6.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 1.2690 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 0.2220 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -0.6460 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 0.5820 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 1.4430 2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 -1.6740 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 0.9990 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7620 -0.7070 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7230 -0.5040 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8030 -1.5420 -4.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1780 0.1700 -4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4930 -0.2110 -3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1200 -1.9130 -3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7280 -2.1880 -5.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1000 -0.4810 -6.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3940 -0.8440 -5.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0230 -2.5480 -4.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6570 -2.8330 -7.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0280 -1.1220 -7.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0720 -2.5850 -8.2870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 14 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 M CHG 1 45 -1 M END