PUBCHEM-ZINC05116914 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3420 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -0.3820 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -1.2920 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 0.7470 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -0.9190 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -1.1210 -1.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8880 -0.1510 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -1.9350 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -2.9960 -1.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -1.8280 -2.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -1.2750 -3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -2.0020 -4.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -3.3630 -3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -4.0720 -4.1800 N 0 5 0 0 0 0 0 0 0 0 0 0 2.3980 -4.9740 -3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -0.0460 -3.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 1.9650 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 0.7930 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -1.8820 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -0.4730 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -2.1460 -5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -1.4130 -4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -3.2190 -2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -3.9520 -3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 0.2850 -4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -1.4800 -0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 -2.0370 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 19 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 5 6 2 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 18 27 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 16 -1 M END