IBS-ZINC04041303 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 0.5570 -3.1800 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -2.8240 1.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -2.9970 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -2.6520 1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -2.7530 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -3.1980 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -3.5700 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -3.4690 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 -3.2290 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6290 -2.1110 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2240 -0.6560 0.2900 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6840 -0.3690 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5100 0.0490 0.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6090 -0.7780 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7880 -0.4750 0.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0920 -2.1730 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7600 -3.1960 0.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6270 1.4970 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8730 2.1240 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0300 3.9690 -2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7220 5.3210 -2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 6.2760 -1.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4230 5.8660 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6620 4.5420 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 -0.3110 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 0.0470 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 0.3410 -2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 0.2710 -3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3790 -0.0890 -3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0900 -0.3690 -2.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4540 -4.4970 0.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -2.9910 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -4.2460 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -2.5610 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -2.2990 2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 -2.4840 2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -3.9280 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -3.7580 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4760 1.7160 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7250 1.9040 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9400 2.2650 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5490 1.4990 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7210 3.2180 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1450 4.0490 -2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0180 5.7070 -3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6270 5.2360 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7720 6.6480 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3000 5.7950 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7630 4.6250 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 4.2000 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 0.0860 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 0.6140 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 0.4850 -4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9300 -0.1640 -4.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4280 -4.4240 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 3.4820 -0.8680 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.3820 3.3540 -0.2820 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 31 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END