OTAVA-ZINC05031768 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 -5.0140 -3.8610 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6290 -2.6260 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2430 -3.1170 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3790 -2.9000 1.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 -3.8280 1.9750 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -3.9320 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -4.5300 1.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6160 -4.4440 3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1490 -5.8380 3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5660 -6.8560 3.6460 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 -6.6170 -1.5370 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 -3.0290 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6990 -4.4900 3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3580 -3.8480 3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0110 -5.9970 2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9470 -7.8560 3.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7040 -6.6970 4.2760 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