PUBCHEM-ZINC04097138 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 2.8290 0.0070 -2.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -1.1450 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -1.5500 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -0.7430 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 0.4090 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 0.7900 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 1.1320 0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -1.0570 1.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -2.7660 -0.0910 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2880 -3.2570 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -3.4450 1.3910 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5280 -4.1950 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -2.8610 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -2.2950 3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -1.8710 4.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -1.2730 5.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -0.9960 7.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 0.2160 7.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 1.1700 6.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 0.4090 8.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -0.6190 9.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -0.3550 11.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 0.9320 11.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 1.9470 10.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 1.6960 9.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 2.7710 8.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 3.2100 10.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -4.1420 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -3.7340 -1.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 0.3010 -3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -1.7120 -2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 1.6830 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 1.8950 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -0.3340 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -2.0780 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -3.6550 3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -3.0530 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -1.4280 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -1.1380 4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.7390 5.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -1.9780 5.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -0.3510 5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -1.7400 7.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -1.6410 9.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -1.1600 11.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 1.1370 12.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 2.4200 7.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 3.7270 10.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -4.9320 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -3.4240 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 -3.8220 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -2.3840 0.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -1.5650 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -4.7820 -0.6120 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4920 -4.8330 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 -5.7150 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -4.2120 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 52 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 52 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 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 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 54 1 0 0 0 0 29 51 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 54 57 1 0 0 0 0 M CHG 1 54 1 M END