PUBCHEM-ZINC05138316 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 57 0 0 1 0 0 0 0 0999 V2000 -7.0080 -3.2750 2.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5890 -3.1190 2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 -2.5950 3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 -4.4580 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -4.4000 1.1120 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6440 -3.4190 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -5.5260 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -5.1510 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -4.0420 -1.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2130 -6.1820 -2.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -5.8940 -3.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -4.5920 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -5.3130 3.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -3.9720 1.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -3.1840 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -3.3870 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -3.4550 1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.0820 2.6920 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0670 -5.1430 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -3.2950 3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -2.2580 4.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -3.8210 5.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -4.6610 4.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -3.2450 6.4180 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1230 -2.1630 6.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -3.8790 7.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -3.2700 8.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -3.7320 6.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -3.5230 7.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -4.6280 6.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3800 -2.3230 3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7000 -3.6050 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0380 -4.0100 3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 -2.3680 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 -3.3460 4.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -2.3060 3.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0880 -1.7030 3.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 -5.2400 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 -4.7530 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -5.7810 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 -6.4420 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -7.1180 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -4.9560 -3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -3.5040 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -2.1390 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -4.3420 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -2.5920 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -4.0490 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -2.4440 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -4.9540 7.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -2.1820 8.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -3.6770 9.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -3.4980 9.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -2.6810 6.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -4.2890 5.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 -4.1300 7.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -2.6160 7.7820 O 0 5 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 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 M CHG 1 57 -1 M END