IBS-ZINC06760115 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 0.0080 1.5920 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 0.0620 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -0.4420 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -0.4370 -0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -1.5850 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -2.2780 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -3.4430 -2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -3.9280 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -3.2310 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -2.0670 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 -1.3890 -0.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -1.9400 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -5.1750 -2.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -5.7220 -3.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 -6.9100 -3.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -7.3570 -3.8360 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8620 -8.0640 -3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -6.0300 -3.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 -7.9600 -5.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -7.9570 -6.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -8.5030 -5.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -8.9530 -6.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -8.4230 -7.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -8.8670 -9.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -9.8310 -9.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -10.3970 -8.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -9.9490 -6.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -10.5130 -5.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -11.4730 -5.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 -11.8660 -7.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -11.3450 -8.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.9730 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.9520 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 1.9410 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -0.2870 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -0.0610 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.0930 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -1.5320 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -1.9030 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -3.9800 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 -3.6030 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 -1.9980 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 -2.9390 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9100 -1.3030 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -5.5790 -4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -6.1910 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -8.5820 -4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -7.6570 -7.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -8.4390 -9.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -10.1610 -10.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -10.1960 -4.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -11.9270 -4.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -12.6260 -7.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 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 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 M END