IFLAB-ZINC04939730 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.0410 1.5160 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.0130 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -0.5230 1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -2.0530 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -4.0110 2.4410 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6080 -4.3830 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -4.4720 3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -4.0400 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -3.4240 1.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 -4.3390 3.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 -4.0410 2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 -3.9340 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5220 -3.6400 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 -3.4520 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7140 -3.5580 2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 -3.8460 3.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 -3.9820 5.0330 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -4.5470 3.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -3.7840 3.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 1.8990 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 1.8800 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 1.8600 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -0.3960 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -0.3570 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -0.1410 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.1800 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -2.4360 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -2.3970 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 -4.0270 4.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -5.5590 3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 -4.7610 4.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 -4.0810 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5160 -3.5570 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6120 -3.2230 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6360 -3.4120 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -2.5430 2.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -2.1500 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -5.8720 3.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -6.1680 3.5780 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 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 36 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M END