REMARK  Name = BDB014387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.337  -0.744   0.424  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -0.816   0.636   0.280  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        0.287   0.697  -0.800  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1        1.372  -0.281  -0.529  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.846  -1.658  -0.352  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -0.253  -1.706   0.732  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.491  -0.113  -1.283  0.00  0.00    +0.197 A 
ATOM      8  N   LIG    1        3.608  -0.885  -1.080  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1        3.695  -1.599  -0.375  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        4.587  -0.482  -1.951  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        4.010   0.571  -2.655  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1        4.769   1.228  -3.647  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        6.084   0.793  -3.887  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1        6.619  -0.262  -3.156  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1        7.875  -0.655  -3.405  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        5.891  -0.929  -2.169  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1        2.718   0.788  -2.211  0.00  0.00    -0.214 NA
BRANCH  12  18
ATOM     18  C   LIG    1        4.225   2.355  -4.437  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        4.896   2.916  -5.295  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        2.945   2.748  -4.174  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        2.388   2.284  -3.460  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        2.550   3.514  -4.699  0.00  0.00    +0.145 HD
ENDBRANCH  12  18
ENDBRANCH   4   7
BRANCH   1  26
ATOM     23  C   LIG    1       -4.545  -0.990   3.096  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1       -3.350  -1.659   3.294  0.00  0.00    +0.126 A 
ATOM     25  N   LIG    1       -2.289  -1.583   2.449  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -2.408  -0.826   1.335  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1       -3.605  -0.162   1.049  0.00  0.00    +0.044 A 
ATOM     28  C   LIG    1       -4.684  -0.245   1.932  0.00  0.00    +0.018 A 
BRANCH  23  32
ATOM     29  C   LIG    1       -6.106   1.310   4.303  0.00  0.00    +0.128 C 
ATOM     30  N   LIG    1       -6.404  -0.096   4.458  0.00  0.00    -0.314 N 
ATOM     31  H   LIG    1       -7.108  -0.351   5.142  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -5.630  -1.164   4.080  0.00  0.00    +0.245 C 
ATOM     33  O   LIG    1       -5.831  -2.272   4.568  0.00  0.00    -0.270 OA
ENDBRANCH  23  32
ENDBRANCH   1  26
TORSDOF 4