IBS-ZINC02237915 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 -0.7170 1.8490 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 0.3650 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -0.4800 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -1.8060 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -1.7590 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -0.4170 -0.8130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 0.0700 -2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 1.1480 -2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 1.6210 -3.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 1.0330 -4.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -0.0470 -4.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -0.5270 -2.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 1.5480 -6.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 2.5340 -6.5240 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6610 -2.8950 -1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -3.0180 1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -3.2550 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -2.2790 3.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -1.5290 3.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -4.6400 3.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -5.4850 2.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -4.8450 4.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -6.0410 5.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -6.0170 6.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -7.1550 6.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -8.3380 6.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -8.3690 5.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -7.2270 4.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -9.3750 7.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -10.6030 7.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 2.3400 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 2.2000 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 2.1760 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -0.1440 2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 1.6080 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 2.4550 -4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 -0.5130 -4.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -1.3380 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -3.2480 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -2.6160 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -3.7410 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -3.8410 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -4.0800 4.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -5.1160 6.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -7.1170 7.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -9.2630 5.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -7.3070 4.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -11.0120 6.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -11.3210 8.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -10.4840 7.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 0.9570 -6.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 51 2 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 3 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 43 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 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 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 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 M CHG 1 14 -1 M END