PUBCHEM-ZINC05631629 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 35 0 0 1 0 0 0 0 0999 V2000 0.0250 1.1530 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 1.2030 -1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 2.3170 -1.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 0.2840 -2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -0.8990 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -0.9740 -0.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -1.8770 -2.9040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -3.1140 -2.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -3.9460 -4.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -3.5970 -4.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -5.0930 -4.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -6.0790 -5.1290 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3560 -5.5440 -6.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -7.1410 -4.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -6.6010 -5.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -7.7050 -5.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -8.8230 -4.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -7.3410 -5.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 -8.0270 -6.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -6.4140 -6.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -6.8640 -5.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 -6.7880 -3.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 0.1330 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 1.7260 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 1.5880 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 0.3990 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 2.3230 -2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -1.7790 -3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -3.6630 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -2.8780 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 -5.3320 -3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -7.5680 -3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -7.9760 -5.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -6.0670 -6.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -5.9040 -4.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -7.4540 -6.1740 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 M CHG 1 36 -1 M END