OTAVA-ZINC05031772 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4480 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 -1.1900 -0.6320 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 0.0160 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.1040 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -2.8540 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -4.2290 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -4.8770 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -4.1530 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -2.7630 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -1.8340 0.0430 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 -3.1830 0.0530 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9910 -3.8700 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6270 -2.6270 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2780 -3.1040 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4230 -2.8830 -1.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3880 -3.8080 -1.8420 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1790 -3.9190 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 -4.5110 -1.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7070 -4.4100 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 -3.4280 -4.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5980 -3.7700 -5.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -2.3540 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -4.8070 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -5.9570 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -4.6660 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1410 -3.0390 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 -1.5380 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1100 -5.3110 -3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7660 -4.6690 -3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8380 -2.4410 -4.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 -3.0660 -6.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 -4.7560 -5.2360 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 M END