PUBCHEM-ZINC04188966 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 -0.0230 1.5260 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.0030 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -0.5010 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -1.9660 -1.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -2.6310 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -2.0140 -3.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -4.1050 -2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -4.8170 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -6.2000 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -6.8840 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -6.1890 -3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -4.8000 -3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -4.1010 -4.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 -4.4150 -4.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -4.3710 -5.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -6.9150 -0.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -8.0880 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -8.5660 -1.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -8.7920 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -10.0060 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -10.6580 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -10.1100 2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -8.9070 2.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -8.2480 1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 -10.8150 3.7540 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7440 -11.8750 3.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -10.3360 4.8730 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9990 1.9040 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.8840 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.8810 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -0.3610 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -0.3810 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.1440 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -0.1240 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.4580 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -4.2890 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -7.9640 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -6.7270 -4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -5.4830 -4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 -3.8550 -5.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -4.1410 -3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -4.0640 -5.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -3.8120 -6.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -5.4370 -5.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -6.5660 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 -10.4350 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -11.5980 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -8.4840 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -7.3110 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 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 12 2 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END