IBS-ZINC04853084 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 0.0070 1.2690 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 1.6920 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 1.0650 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -0.0150 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -0.4350 -1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 0.2070 -1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -0.6710 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -2.1340 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 -2.3330 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 -3.5750 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -4.7680 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 -5.9710 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -7.1220 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 -7.1110 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -5.9340 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -4.7720 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -8.3670 0.1840 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3700 -9.4860 -0.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -8.3630 0.6840 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8010 -0.9820 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9730 -0.7480 0.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 -0.0630 -0.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 1.3160 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 1.9640 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 3.3250 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4480 4.0580 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 3.4040 -1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 2.0420 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 5.5180 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 6.0840 0.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 1.7680 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 2.5190 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 1.3960 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -1.2610 -2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -0.1120 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 -2.8950 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9230 -3.6080 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -5.9820 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3390 -8.0440 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -5.9390 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -3.8580 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.3970 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8920 3.8270 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 3.9680 -2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 1.5360 -2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 6.2220 -1.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 7.1760 -1.3410 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 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 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END