IFLAB-ZINC05258452 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.0480 1.5070 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.0230 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -0.5160 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -2.0460 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -2.5400 -2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -4.0690 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -6.0110 -3.7710 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3190 -6.3970 -2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 -6.4610 -4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -6.0370 -3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -5.4340 -2.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8580 -6.3280 -4.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 -5.8540 -3.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1690 -5.7460 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3450 -5.2770 -2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -4.9150 -2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2830 -5.0210 -4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1120 -5.4950 -4.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9550 -5.6480 -6.6750 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -6.5400 -4.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -5.7730 -4.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 1.8900 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 1.8620 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 1.8580 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.3780 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -0.4060 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -0.1620 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -0.1330 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -2.4010 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -2.4290 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -2.1850 -3.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -2.1560 -2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -4.4240 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -4.4530 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 -7.5460 -4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 -6.0030 -5.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8850 -6.8660 -5.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3450 -6.0270 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4390 -5.1930 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3180 -4.5490 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1090 -4.7370 -4.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -4.5430 -3.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -4.1740 -4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -7.8630 -4.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -8.1550 -4.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 42 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 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 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 M END