PUBCHEM-ZINC05669515 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.0270 1.4570 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 0.0050 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -0.6220 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 0.0200 0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.1280 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -2.5840 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -4.1140 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -4.6500 1.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -4.2060 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -2.6750 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -5.5310 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -6.0380 2.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 -5.8780 1.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 -6.6770 2.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8860 -7.0260 2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 -6.5310 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0090 -6.8630 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5730 -7.6830 2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8010 -8.1770 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4620 -7.8600 3.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4140 -9.0530 4.6330 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.5960 -9.3380 4.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7370 -9.4890 5.5460 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9950 1.8360 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 1.8190 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.8050 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -2.5030 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -2.2310 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 -2.1760 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -4.4470 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -4.4650 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -4.6000 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -4.5640 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -2.3300 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -2.3210 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 -5.4940 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -7.0610 3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2340 -5.8900 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6170 -6.4810 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6200 -7.9380 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8600 -8.2500 4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 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 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END