REMARK  Name = BDB011614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.334  -0.362  -0.912  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.503  -1.393  -0.533  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.033  -2.272  -0.352  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.004   0.709  -1.396  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.869  -1.377  -0.466  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.770  -0.181  -0.388  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.402   0.967  -0.217  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.087  -0.661  -0.409  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.039  -2.092  -0.342  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -5.001  -2.779  -1.214  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.684  -2.443  -0.386  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.282  -3.884  -0.378  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.227   0.015   0.235  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.109   0.100   1.766  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -4.428   1.360   2.286  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -5.049   2.617   1.692  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -4.998   2.607   0.171  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.616   1.348  -0.430  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        2.964   1.349  -1.734  0.00  0.00    +0.068 C 
ATOM     20  C   LIG    1        2.865   0.043  -1.040  0.00  0.00    +0.074 A 
ATOM     21  N   LIG    1        3.926  -0.744  -0.620  0.00  0.00    -0.216 N 
ATOM     22  N   LIG    1        3.463  -1.985  -0.308  0.00  0.00    -0.060 NA
ATOM     23  N   LIG    1        2.141  -1.950  -0.296  0.00  0.00    -0.124 NA
ATOM     24  C   LIG    1        1.743  -0.716  -0.743  0.00  0.00    +0.170 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.318  -0.474  -0.549  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1        5.833   0.754  -0.068  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1        7.234   0.919  -0.125  0.00  0.00    +0.044 A 
ATOM     28  C   LIG    1        8.075  -0.097  -0.568  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        9.399   0.104  -0.588  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.564  -1.320  -0.966  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1        6.186  -1.515  -0.950  0.00  0.00    +0.031 A 
BRANCH  26  32
ATOM     32  C   LIG    1        5.018   1.861   0.577  0.00  0.00    +0.021 C 
ATOM     33  C   LIG    1        5.337   2.280   1.998  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        4.058   1.564   1.707  0.00  0.00    +0.009 C 
ENDBRANCH  26  32
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5