PUBCHEM-ZINC04534231 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.5110 1.2970 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -0.1830 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -0.8350 0.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -0.7290 -0.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -2.1700 -1.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0370 -2.6880 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -2.6180 -1.2940 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4690 -2.1620 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -2.2220 -2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -2.6690 -3.8200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3080 -2.1310 -3.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -2.5840 -2.4590 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4000 -3.6820 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -2.0750 -2.5050 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8280 -0.9780 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -2.5030 -3.8170 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3820 -3.5790 -3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -2.1700 -3.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 -2.4280 -5.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -2.1160 -5.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -1.8240 -4.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -1.8000 -4.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -2.5580 -1.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -1.9880 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -2.0170 -5.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -2.4110 -5.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -4.1110 -3.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -4.7480 -4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -4.1960 -5.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -5.2100 -6.6030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -5.0860 -7.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -6.4210 -6.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -6.1700 -4.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -7.2890 -4.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -8.5850 -4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -8.7850 -5.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -7.7070 -6.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -10.1200 -3.4980 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -6.9450 -2.7570 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -4.0300 -1.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -4.4770 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 1.5930 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 1.8280 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 1.5660 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -0.1160 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -1.1320 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 -2.6810 -2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 -2.7710 -3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 -1.1090 -3.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -3.1780 -6.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -9.7880 -5.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -7.8690 -7.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -1.1500 -5.7020 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 51 1 0 0 0 0 37 52 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 53 -1 M END