PUBCHEM-ZINC02735631 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 63 0 0 0 0 0 0 0 0999 V2000 0.0080 1.5160 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.0140 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -0.5010 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -1.8510 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -2.3910 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -3.7620 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -4.5980 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -4.0560 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -2.6860 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -5.9910 -0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -6.8660 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -8.0690 -0.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -8.0090 0.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -6.7640 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -6.1950 2.5260 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 -7.7680 3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 -7.5220 4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 -6.3930 5.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 -8.5550 5.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1610 -8.3390 6.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8190 -7.1600 6.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2610 -6.9460 8.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0490 -7.9060 9.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 -9.0900 8.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -9.3070 7.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 -9.8630 10.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2810 -9.3210 10.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3810 -7.9380 10.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -6.5180 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -7.4230 -3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -6.7120 -4.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -5.4090 -3.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -5.3060 -2.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -4.2970 -4.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -7.2740 -5.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -9.2970 -3.3040 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 1.8880 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 1.8820 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 1.8680 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -0.3650 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.3800 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 -1.7410 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 -4.1830 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -4.7070 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -2.2640 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -8.2300 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -8.4330 3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 -9.4480 4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 -6.4090 6.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7730 -6.0280 8.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 -10.2260 7.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2410 -9.8230 10.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9310 -9.4060 12.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -3.9040 -5.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -3.5090 -4.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -4.6490 -5.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -7.2930 -6.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -6.6490 -6.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -8.2880 -5.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 29 30 1 0 0 0 0 29 33 2 0 0 0 0 30 31 2 0 0 0 0 30 36 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 M END