REMARK  Name = BDB051502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.387   1.238   1.092  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1        0.081   2.483   0.295  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1        0.736   2.508  -0.740  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -0.370   3.575   0.977  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -0.094   4.938   0.585  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1       -0.992   3.158   2.093  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1       -1.065   1.881   2.278  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.311  -1.305  -0.952  0.00  0.00    +0.123 A 
ATOM      9  C   LIG    1       -2.442  -0.504  -1.710  0.00  0.00    -0.008 A 
ATOM     10  C   LIG    1       -2.496  -0.525  -3.214  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -1.505   0.321  -1.060  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.421   0.373   0.341  0.00  0.00    -0.006 A 
ATOM     13  C   LIG    1       -2.295  -0.448   1.075  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -3.230  -1.272   0.440  0.00  0.00    +0.046 A 
BRANCH   8  16
ATOM     15  C   LIG    1       -5.079  -2.906  -0.934  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -4.187  -2.078  -1.669  0.00  0.00    -0.495 OA
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  C   LIG    1        0.821   0.383   1.530  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1        1.684  -0.186   0.567  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        2.783  -0.989   0.928  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        3.000  -1.215   2.293  0.00  0.00    +0.131 A 
ATOM     21  F   LIG    1        4.015  -1.995   2.695  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        2.166  -0.670   3.264  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        1.082   0.122   2.885  0.00  0.00    +0.009 A 
BRANCH  19  24
ATOM     24  C   LIG    1        3.657  -1.574  -0.097  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        5.041  -1.378  -0.105  0.00  0.00    +0.221 A 
ATOM     26  F   LIG    1        5.597  -0.602   0.840  0.00  0.00    -0.183 F 
ATOM     27  N   LIG    1        5.889  -1.891  -1.030  0.00  0.00    -0.227 NA
ATOM     28  C   LIG    1        5.339  -2.646  -2.000  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        3.983  -2.908  -2.095  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        3.136  -2.364  -1.133  0.00  0.00    +0.014 A 
ENDBRANCH  19  24
ENDBRANCH   1  17
BRANCH   6  31
ATOM     31  N   LIG    1       -1.523   4.029   2.982  0.00  0.00    -0.331 N 
ATOM     32  H   LIG    1       -1.911   4.882   2.604  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -2.147   3.572   3.641  0.00  0.00    +0.145 HD
ENDBRANCH   6  31
TORSDOF 5