PUBCHEM-ZINC03869572 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.0890 1.4120 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -0.0360 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.8320 1.1920 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6500 -0.4120 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -2.2070 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -2.2510 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -0.8000 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -0.3990 -2.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -0.8720 1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -0.8980 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -0.9580 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 -0.9890 2.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 -0.9590 3.7020 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6100 -0.9190 3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -0.9670 5.1910 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1230 -0.4100 5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -2.4260 5.7440 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9070 -2.7680 5.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -2.3500 7.2830 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3460 -1.8830 7.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 -1.5400 7.6110 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6520 -1.5150 8.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 -0.1460 7.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4170 0.3340 7.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -0.2260 5.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 0.7850 7.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 1.3780 6.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6210 -2.2010 7.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -2.6210 6.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -3.6870 7.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -4.1350 7.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 -3.1920 5.2260 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8860 1.7770 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 1.8090 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 1.7440 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -2.2680 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -3.0480 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -2.8380 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -2.6400 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -0.8700 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 -0.9830 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 -1.0420 3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -0.9240 3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 0.9130 8.6500 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 13 1 M CHG 1 32 -1 M CHG 1 44 -1 M END