PUBCHEM-ZINC06073953 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.3680 1.6970 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 0.2420 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -0.1970 0.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -0.5010 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -1.9340 -0.0580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 -2.1940 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -2.4700 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -3.8940 1.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -4.5070 0.7220 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9580 -5.5860 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -4.0630 -0.7580 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0160 -4.4390 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -2.5290 -0.8850 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0520 -2.1050 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -2.2080 -2.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 -1.0890 -2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -0.3140 -2.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -0.9340 -4.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -4.5870 -1.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -5.8900 -1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -6.6470 -1.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -6.2760 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -4.3130 1.4880 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 -3.8550 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 -3.7390 2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 -4.2160 3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 -4.5870 2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 -5.1180 3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -5.2640 5.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -4.8960 5.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 -4.3720 4.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8310 -3.2200 1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5690 -3.0550 2.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4490 -2.8350 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3140 -3.6810 -0.3780 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5260 2.2900 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 1.9690 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 1.9130 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -2.1320 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 -2.0690 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -1.8000 -4.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 -0.0370 -4.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -0.8220 -4.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -6.1940 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -7.3130 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -5.6350 -3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 -3.6310 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -5.4020 3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -5.6690 5.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 -5.0150 6.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2160 -4.0900 4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0230 -1.7030 0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 32 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 52 2 0 0 0 0 M CHG 1 35 -1 M END