IBS-ZINC05561661 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0130 -0.4000 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -0.5430 1.2140 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1660 0.2790 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -1.3060 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -1.8960 1.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -1.2280 -0.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -0.5200 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -0.3230 -2.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 -1.8320 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 -1.7820 -2.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -2.4190 -3.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 -2.5120 -4.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 -3.2140 -5.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 -3.8430 -4.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 -3.7630 -3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -3.0560 -2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 -2.7660 -1.0960 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 -3.2950 -6.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -4.0390 -7.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -1.4750 2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -1.8890 3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -1.1340 4.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -1.5120 5.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -2.6480 5.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -3.4030 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -3.0270 3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -3.1240 6.9950 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 -2.0280 -5.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6020 -4.3930 -5.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 -4.2510 -2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 -4.0240 -8.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -3.5910 -7.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 -5.0690 -7.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -0.9560 2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -2.3600 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.2470 4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -0.9220 6.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 -4.2900 4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -3.6190 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 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 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 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 43 1 0 0 0 0 28 44 1 0 0 0 0 M END