REMARK  Name = BDB008596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.181   0.044   0.507  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        1.588   1.115   1.119  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1        0.218   1.046   0.861  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -0.587   2.061   1.411  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.045   3.048   2.159  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1        1.417   3.004   2.337  0.00  0.00    +0.151 A 
ATOM      7  F   LIG    1       -0.674   4.038   2.703  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1       -0.012  -0.124   0.054  0.00  0.00    -0.000 A 
ATOM      9  N   LIG    1        2.241   2.055   1.834  0.00  0.00    -0.234 NA
ATOM     10  C   LIG    1        1.234  -0.708  -0.140  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.345  -0.605  -0.485  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -1.260  -1.854  -1.373  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.308  -0.819   0.629  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -3.547  -0.156   0.727  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -4.332  -0.347   1.663  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.966   0.842  -0.387  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -4.904   1.826   0.101  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -6.260   1.452  -0.153  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -6.523   1.388  -1.667  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -5.389   0.875  -2.467  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.850   1.689  -2.771  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.519   0.059  -1.603  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -1.877  -1.794   1.641  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -2.801  -2.725   2.376  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -2.107  -1.613   3.116  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  26
ATOM     26  C   LIG    1        3.603  -0.257   0.550  0.00  0.00    +0.123 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.375   0.483  -0.542  0.00  0.00    +0.024 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.886   0.254  -0.471  0.00  0.00    +0.030 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.301  -1.172  -0.831  0.00  0.00    +0.159 C 
BRANCH  29  31
ATOM     30  C   LIG    1        8.459  -0.872  -1.791  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        7.708  -1.353  -0.683  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9