PUBCHEM-ZINC06592839 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 1.0770 -1.9140 -2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -1.4600 -1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -2.3390 -2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -1.8840 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -2.6740 -1.4050 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9100 -2.5800 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8100 -2.1240 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 -0.6960 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -4.1490 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 -4.9060 -1.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 -6.3040 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 -7.0110 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 -8.5080 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8730 -9.1850 -1.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8910 -10.8320 -1.9370 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.2270 -11.1850 -2.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 -11.1590 -2.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 -11.5310 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 -12.2960 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -12.8440 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0620 -12.6280 2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1960 -11.8630 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4460 -11.3100 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6580 -10.4870 0.4790 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.4980 -10.4010 1.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8150 -9.8950 -0.5740 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9570 -1.2880 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -2.9530 -2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -1.8260 -3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -1.5490 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -0.4210 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 -2.2500 -3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -3.3770 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 -2.0600 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -0.8200 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 -2.7530 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 -2.1190 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0170 -0.3410 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2880 -0.0450 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 -0.6850 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -4.5180 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 -4.2540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 -6.7180 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -6.4540 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6130 -6.5980 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 -6.8620 -2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -8.9220 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 -8.6570 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6740 -8.6690 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 -12.4640 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 -13.4420 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8650 -13.0570 3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8840 -11.6940 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END