PUBCHEM-ZINC05963013 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -2.3330 -0.0840 2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -0.7780 3.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -2.2890 3.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -0.4840 3.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 0.6930 4.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 1.6420 4.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 2.7930 5.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 2.9590 5.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 0.9260 4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -0.0180 4.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -0.5950 5.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.7510 5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 -1.2600 4.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -0.5470 3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 0.5610 3.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8310 -1.4560 5.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 -0.9240 4.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 -2.3140 6.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3970 -2.2120 6.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3960 -3.2170 7.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3120 -3.5890 8.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0220 -4.6280 9.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8260 -5.3240 9.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 -4.9780 8.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1820 -3.9210 7.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 -3.3490 6.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 -3.6280 6.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9920 -5.0190 10.7080 N 0 3 0 0 0 0 0 0 0 0 0 0 10.0430 -4.4130 10.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7400 -5.9460 11.4570 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6780 -0.4480 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -0.3020 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 0.9930 2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -0.4130 4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -2.6530 2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -2.7830 4.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -2.5080 3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -1.1050 3.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 1.4900 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 3.5520 5.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 3.8530 6.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 0.1710 6.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -0.9670 6.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -2.1080 6.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 -2.5620 5.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 -0.1080 3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 -1.2430 2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 1.0280 3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 1.3100 4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 -1.4940 6.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2440 -3.0550 8.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6120 -6.1440 10.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 -5.5250 8.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 2.0400 5.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 54 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 50 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 51 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END