IBS-ZINC04957055 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 1.6460 2.1570 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 0.7870 -0.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 0.0320 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 0.5980 1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 -0.1710 2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -1.5040 2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -2.0710 2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -1.3040 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -3.5250 2.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5880 -3.7240 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -4.3980 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 -5.1660 2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -4.8370 3.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -5.3560 4.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -3.8770 3.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -3.2880 4.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -4.0930 4.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -3.4870 5.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 -2.5030 4.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 -1.9470 5.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 -2.3750 6.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -3.3600 7.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -3.9190 6.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 -6.0890 2.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -4.4120 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 -4.0800 0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -4.8300 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -4.7330 -2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -5.1250 -3.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -5.6130 -3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -5.7120 -1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -5.3290 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 2.2120 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 2.6440 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 2.6590 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 1.6400 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 0.2690 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -2.1040 3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -1.7460 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -3.3070 5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.2570 4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -4.0740 3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -5.1240 4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -2.1680 3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 -1.1780 5.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 -1.9400 7.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -3.6940 8.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -4.6910 6.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 -6.5440 3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 -4.3510 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 -5.0500 -4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -5.9180 -3.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -6.0940 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -5.4110 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 24 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 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END