PUBCHEM-ZINC00627683 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 0.7770 0.4090 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -0.7150 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -0.9620 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -2.0780 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 -2.4540 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -1.7110 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -0.5870 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -0.2160 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 -2.1780 -0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2160 -1.5660 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2970 -0.4120 0.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4410 -2.4150 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 -3.7730 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4330 -4.5960 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6880 -4.0670 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8280 -2.7130 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7140 -1.8650 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8260 -0.4910 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9660 0.2120 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1270 -0.1710 -0.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7080 1.6370 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8140 2.5220 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6320 3.8890 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3570 4.3700 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2610 3.4850 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4280 2.1010 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2990 1.1860 -3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6590 0.1040 -2.9150 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8600 0.4650 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 1.3390 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 0.2920 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -2.6660 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -3.3290 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 0.0140 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 0.6580 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2480 -3.0560 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3420 -4.2010 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3310 -5.6470 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5680 -4.7050 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8280 -2.3450 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 0.0310 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0470 2.1490 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7140 4.5780 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2210 5.4360 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0530 3.8730 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8090 1.5910 -4.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 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 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 46 2 0 0 0 0 M CHG 1 28 -1 M END