IBS-ZINC01184594 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -0.0680 1.8620 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 0.3810 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -0.1690 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -1.5400 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -2.4070 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.8770 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -0.4970 -1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 0.0710 -3.2070 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 1.0670 -3.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -1.1030 -4.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 0.8260 -3.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 0.2270 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -1.1420 -2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 -1.6590 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2670 -0.8080 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 0.5640 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 1.1020 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 2.5960 -1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 2.9890 -2.4180 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8330 -3.8440 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -4.5810 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -6.0770 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -6.5830 0.4770 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1980 2.3000 -1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 2.0760 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 2.3800 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 0.4750 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -1.9240 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -2.5520 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 1.8870 -2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 -1.8290 -3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 -2.7270 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1660 -1.2120 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 1.2260 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -4.3020 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -4.1350 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 3.3350 -1.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -6.6270 1.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 2 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 38 2 0 0 0 0 M CHG 1 19 -1 M CHG 1 23 -1 M END