REMARK  Name = BDB014403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.812   0.148   0.406  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1       -0.213  -0.165   1.433  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -1.618   0.285   0.979  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -1.970  -0.305  -0.338  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.955   0.015  -1.369  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        0.462  -0.418  -0.924  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.280  -0.181  -0.681  0.00  0.00    +0.197 A 
ATOM      8  N   LIG    1       -3.781  -0.792  -1.803  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -3.248  -1.372  -2.430  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -5.123  -0.526  -1.888  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -5.395   0.242  -0.759  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1       -6.715   0.688  -0.537  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -7.709   0.338  -1.466  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -7.391  -0.435  -2.578  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1       -8.360  -0.755  -3.447  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -6.095  -0.890  -2.822  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1       -4.240   0.427  -0.021  0.00  0.00    -0.214 NA
BRANCH  12  18
ATOM     18  C   LIG    1       -7.082   1.508   0.639  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -8.233   1.889   0.817  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1       -6.091   1.827   1.520  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -5.135   1.508   1.376  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -6.316   2.383   2.332  0.00  0.00    +0.145 HD
ENDBRANCH  12  18
ENDBRANCH   4   7
BRANCH   1  26
ATOM     23  C   LIG    1        4.813  -0.252   1.409  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1        4.517   0.354   0.237  0.00  0.00    -0.230 NA
ATOM     25  C   LIG    1        3.196   0.461  -0.035  0.00  0.00    +0.138 A 
ATOM     26  C   LIG    1        2.157  -0.011   0.763  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        2.619  -0.596   1.936  0.00  0.00    +0.138 A 
ATOM     28  N   LIG    1        3.917  -0.739   2.284  0.00  0.00    -0.230 NA
BRANCH  23  31
ATOM     29  N   LIG    1        7.137   0.197   0.819  0.00  0.00    -0.309 N 
ATOM     30  H   LIG    1        6.698   0.522  -0.039  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        6.282  -0.394   1.741  0.00  0.00    +0.281 C 
ATOM     32  O   LIG    1        6.684  -0.994   2.733  0.00  0.00    -0.267 OA
BRANCH  29  34
ATOM     33  C   LIG    1        9.305   1.023   0.044  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1        8.565  -0.011   0.869  0.00  0.00    +0.101 C 
ENDBRANCH  29  34
ENDBRANCH  23  31
ENDBRANCH   1  26
TORSDOF 5