PUBCHEM-ZINC05955136 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 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 -0.6650 -1.8300 -2.2020 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.1070 -2.0420 -3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -2.7520 -4.3320 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.4670 -2.9820 -5.7240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6550 -2.0250 -6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -3.7220 -6.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -2.8400 -6.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -2.7050 -5.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8290 -6.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 -1.4150 -7.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -2.0260 -7.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -1.9080 -8.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -3.8140 -5.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 -4.1770 -4.7120 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 -2.0210 -2.6370 -3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -1.0790 -4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -4.6370 -5.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -3.9710 -7.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -3.2140 -4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 -0.7050 -7.8630 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 -2.2830 -4.1500 -6.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -4.6850 -6.8850 H 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 26 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 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 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 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 12 -1 M CHG 1 14 -1 M END