IBS-ZINC04994114 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -0.1540 1.0580 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 0.9580 2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 2.9240 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 3.3860 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 4.9060 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 5.3620 -0.9630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 5.6080 -1.0730 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5620 6.3880 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 6.0600 -2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 6.0630 -3.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 5.6340 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 5.5380 -2.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 6.4090 -4.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 6.4240 -3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 5.8340 -4.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6030 7.5100 -2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0800 8.2820 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8360 9.2930 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1120 9.5460 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6400 8.7840 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8880 7.7710 -2.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8950 9.0370 -2.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6120 10.1010 -2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 4.3400 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 3.5810 -1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 2.4180 -1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4300 2.0100 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9450 2.7650 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 3.9300 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 4.6720 1.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 4.1380 2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.0300 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 1.4570 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 1.4470 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 1.4100 2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -0.1260 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 1.2120 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 3.3970 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 3.2050 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 3.1040 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 2.9130 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 5.1810 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 5.3760 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 6.3520 -4.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 8.0860 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4310 9.8890 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6990 10.3400 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2960 7.1810 -3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7260 9.8850 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0620 11.0340 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5970 10.1960 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3470 3.8970 -2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5960 1.8260 -2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9790 1.1010 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1140 2.4460 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 4.8630 3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 3.9260 3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 3.2170 2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 1.4640 1.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 59 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 59 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 59 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END