REMARK  Name = BDB009599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.552   2.231   0.232  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.677   1.376   0.359  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        0.418   1.498  -0.209  0.00  0.00    -0.293 N 
ATOM      4  C   LIG    1       -0.656   0.503  -0.032  0.00  0.00    +0.114 C 
ATOM      5  C   LIG    1       -0.161  -0.951   0.256  0.00  0.00    +0.045 C 
ATOM      6  C   LIG    1        1.369  -1.057   0.340  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1        1.910   0.109   1.167  0.00  0.00    +0.083 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.696   0.939   1.003  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -3.033   0.535   0.836  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -4.011   0.893   1.767  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.662   1.656   2.877  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -4.865   2.098   4.024  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.344   2.063   3.064  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.365   1.705   2.133  0.00  0.00    +0.007 A 
ENDBRANCH   4   8
BRANCH   5  15
ATOM     15  C   LIG    1       -0.716  -1.962  -0.741  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -0.429  -1.869  -2.113  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -0.959  -2.798  -3.010  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -0.604  -2.658  -4.687  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -1.773  -3.832  -2.557  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.061  -3.938  -1.197  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.536  -3.010  -0.295  0.00  0.00    +0.004 A 
ENDBRANCH   5  15
BRANCH   3  22
ATOM     22  C   LIG    1        0.127   2.672  -1.027  0.00  0.00    +0.112 C 
BRANCH  22  23
ATOM     23  C   LIG    1        0.459   2.394  -2.463  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -0.572   1.853  -3.423  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -0.108   3.277  -3.547  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
BRANCH   7  26
ATOM     26  C   LIG    1        3.406  -0.039   1.487  0.00  0.00    +0.090 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.691  -1.149   2.432  0.00  0.00    +0.149 A 
ATOM     28  N   LIG    1        4.928  -1.707   2.584  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1        5.804  -1.492   2.125  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1        4.881  -2.681   3.501  0.00  0.00    -0.047 NA
ATOM     31  N   LIG    1        3.622  -2.706   3.915  0.00  0.00    -0.023 NA
ATOM     32  N   LIG    1        2.871  -1.757   3.264  0.00  0.00    -0.114 NA
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6