IBS-ZINC01514078 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 0.1260 1.3650 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.0540 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -0.5960 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 0.1220 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -0.5340 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -1.9330 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 -2.6850 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -1.9990 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -4.0690 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 -4.1060 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 -2.8200 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6860 -2.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -5.2520 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -5.6700 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -6.8210 1.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -6.7320 1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -5.7400 1.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -8.0960 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -8.5700 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -9.9580 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -10.8430 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -10.3140 1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -8.9450 1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -8.1230 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -8.5590 1.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -12.3400 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -13.0710 1.4680 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1880 1.6290 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 1.7780 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 1.8020 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 1.2080 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 0.0320 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -2.5540 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 -4.9420 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -6.0930 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -5.0270 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -4.8450 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -5.9260 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -7.9000 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -10.3740 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -10.9670 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -12.7470 1.2930 O 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 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 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 34 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 26 42 2 0 0 0 0 M CHG 1 27 -1 M END