IBS-ZINC02100116 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.0490 1.2920 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.1010 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -0.7620 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -0.0350 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.3650 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 2.0240 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 -0.7510 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -0.9480 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 -1.8300 -1.5580 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 -1.9230 -3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 -1.3860 -4.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 -1.6960 -5.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 -1.3840 -6.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 -0.7490 -6.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 -1.8930 -7.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -1.7150 -8.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2220 -2.6070 -7.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -2.8800 -6.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 -2.4140 -5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 -2.5700 -3.8830 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1930 -3.2940 -3.2820 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9560 -3.3910 -4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8170 -4.6780 -2.6580 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7230 -4.7820 -2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2460 -4.4980 -1.1850 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3810 -4.2350 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2620 -3.3690 -1.2280 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2570 -3.7250 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8010 -2.4690 -2.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3700 -2.6270 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3420 -1.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1350 -1.1240 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8150 -5.7010 -0.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9570 -6.1770 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5610 -5.6550 -3.1790 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8990 -3.0220 -8.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 1.8070 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -0.6700 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -1.8490 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 1.9460 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 3.1100 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 -0.1720 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -1.7160 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 -1.5280 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 0.0220 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4210 -2.1570 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6770 -3.2990 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6040 -2.8470 -9.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7550 -3.5430 -8.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 19 2 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 17 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 36 48 1 0 0 0 0 36 49 1 0 0 0 0 M CHG 1 35 -1 M END