IFLAB-ZINC04139407 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -0.4640 -3.1340 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -2.1920 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -1.1850 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -1.3420 -3.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -3.7680 -3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -3.6630 -1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.7670 -5.1960 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2650 -3.8480 -5.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -2.3170 -5.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -3.1320 -6.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 -2.4020 -6.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 -1.0490 -6.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -0.6660 -6.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -2.1810 -6.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0240 -1.1110 -5.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -2.8600 -5.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -2.3060 -7.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -1.3590 -8.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -0.4160 -8.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -1.5440 -9.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -2.0730 -10.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -2.2190 -11.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -1.8350 -12.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -1.2790 -12.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -1.1370 -10.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -0.8360 -13.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -2.0040 -13.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -3.0170 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -4.1810 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 -2.9190 2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -1.1570 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -2.3600 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -1.1540 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -0.2760 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -1.2630 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.4910 -3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -4.6840 -3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -3.8910 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -4.4870 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 -3.6770 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -4.2090 -5.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -2.8470 -6.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 -0.2650 -6.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -3.9420 -5.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -2.6830 -4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -2.4780 -6.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -3.1160 -7.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -2.3480 -9.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -2.6300 -11.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -0.7060 -10.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -1.6900 -13.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.3990 -12.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -0.0740 -13.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -2.6200 -14.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -1.0270 -14.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -2.5010 -14.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -2.3610 -0.9580 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6780 -2.3600 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -2.6100 -3.7200 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 57 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 57 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 59 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 59 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 6 57 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 59 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END