PUBCHEM-ZINC05967150 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 -2.0690 0.1730 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 0.9680 3.4880 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0700 -0.1010 3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 1.8370 4.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 3.3440 4.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 3.6330 2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 2.5790 1.8290 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7000 2.7420 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 2.4760 2.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6870 3.3840 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 1.4480 3.0620 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0880 1.5710 3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 1.2190 1.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 3.9000 4.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 5.2410 4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 5.9750 4.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 5.6960 5.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9140 4.7160 6.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 4.5730 7.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 4.1290 7.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 7.1270 5.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 7.6190 6.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 8.9150 7.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 9.7370 6.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 9.2620 5.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 7.9670 5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 5.6030 3.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -0.7160 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -0.0400 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 0.5170 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 1.4930 4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.6940 5.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 3.8180 4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 3.6450 2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 4.6230 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 3.7220 5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 5.0610 6.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 6.9960 7.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 9.2780 7.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 10.7430 7.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 9.8970 5.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 7.6190 4.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 6.3580 3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 1.2550 2.3210 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9480 1.3890 2.6580 H 0 0 0 0 0 0 0 0 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 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 44 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 44 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END