IFLAB-ZINC05258476 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 0 0 1 0 0 0 0 0999 V2000 -0.0210 1.5500 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 0.0200 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -0.4640 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -0.4540 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -0.6740 2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -1.1780 3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -1.4140 4.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -2.1350 7.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2280 -2.5050 6.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -3.1720 7.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -4.4960 7.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -4.6000 6.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -5.5650 7.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -6.8200 7.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -7.1080 6.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -8.3480 5.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -9.3020 5.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -9.0200 6.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -7.7790 7.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -7.3900 8.7280 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -0.8460 7.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 0.1680 7.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 1.9330 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.9120 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 1.8950 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -0.3630 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 -0.0820 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -1.5540 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -0.1030 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 0.2600 2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -1.4180 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.1120 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -0.4340 3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -0.4790 4.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -2.1580 4.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.8420 8.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -3.2830 8.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -5.4640 8.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -6.3630 6.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -8.5720 4.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -10.2710 5.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -9.7680 7.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -1.8970 5.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -2.7280 5.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -0.8230 8.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 0.0280 9.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 43 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 M END