IFLAB-ZINC04173712 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 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 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -0.7580 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -2.1970 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.7540 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -1.2060 1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -1.4480 2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -1.2650 3.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -1.5520 4.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 -2.0060 4.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5000 -2.0490 2.5710 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.3540 -2.3940 5.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6010 -2.8500 4.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5590 -3.2110 5.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2860 -3.1220 7.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0520 -2.6700 7.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 -2.3120 6.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6060 -3.6190 8.4140 Br 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -0.6060 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -0.0680 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -2.3490 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -2.8870 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -2.3810 -2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -0.5720 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -1.4320 5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8150 -2.9190 3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5230 -3.5640 5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8460 -2.6020 8.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 -1.9640 7.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 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 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 M END