PUBCHEM-ZINC05632645 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -0.0730 1.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 0.0120 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -0.4930 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -1.1920 -3.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -0.1670 -2.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -0.6580 -3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 -0.1480 -4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8050 -0.6610 -5.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1850 -0.1720 -5.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0120 -0.5120 -6.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3220 -0.0490 -6.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1360 -0.3870 -7.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6510 -1.1850 -8.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3480 -1.6470 -8.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 -1.3180 -7.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5270 -1.5440 -9.6700 N 0 3 0 0 0 0 0 0 0 0 0 0 12.6740 -1.1370 -9.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 -2.2460 -10.5690 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -0.3710 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -0.3490 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 1.1020 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 0.3920 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -1.7480 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -0.2980 -4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 0.9420 -4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6650 -0.5090 -3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 -1.7510 -5.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 -0.3000 -6.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 0.3870 -4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7020 0.5740 -5.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1540 -0.0280 -7.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9710 -2.2690 -9.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 -1.6830 -7.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4780 -1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -1.4840 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 46 1 0 0 0 0 3 26 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 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 46 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END