IBS-ZINC02098028 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 1 0 0 0 0 0999 V2000 -0.3280 1.8140 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 0.3010 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -0.0740 1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -0.4350 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -1.9540 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -2.4910 -0.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -3.8470 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 -4.3100 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 -5.6750 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 -6.5910 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 -6.1320 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -4.7630 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 -8.0320 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 -8.3740 -2.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -8.8900 -0.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 -10.3570 -0.7210 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5500 -10.6610 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -10.9170 -1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -10.6000 -2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -9.6210 -3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -9.3200 -4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -9.9940 -5.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -10.9720 -5.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -11.2740 -3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -9.6660 -7.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -10.1680 -7.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -10.9920 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -10.2220 1.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 2.3540 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 2.1070 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 2.1440 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 0.0340 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -1.1290 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 0.5140 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 0.1100 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -0.1930 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -0.0700 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -2.2020 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -2.3620 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 -3.6030 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 -6.0170 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -6.8210 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -4.4480 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -8.5660 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -10.5420 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -12.0100 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -9.0820 -2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -8.5590 -5.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -11.5030 -5.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 -12.0310 -3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -12.1780 0.8070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 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 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 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 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 M CHG 1 51 -1 M END