REMARK  Name = BDB014392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.401   0.555  -1.436  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1        1.516  -0.639  -1.418  0.00  0.00    +0.127 C 
ATOM      3  C   LIG    1        0.542  -0.637  -2.619  0.00  0.00    +0.125 C 
ATOM      4  N   LIG    1       -0.240   0.619  -2.695  0.00  0.00    -0.311 N 
ATOM      5  C   LIG    1        0.642   1.808  -2.711  0.00  0.00    +0.125 C 
ATOM      6  C   LIG    1        1.641   1.829  -1.528  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        5.759  -0.785   1.800  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        4.962  -0.119   0.845  0.00  0.00    +0.103 A 
ATOM      9  C   LIG    1        5.335   1.155   0.424  0.00  0.00    +0.071 A 
ATOM     10  N   LIG    1        4.374   1.507  -0.488  0.00  0.00    -0.326 N 
ATOM     11  H   LIG    1        4.355   2.355  -1.030  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        3.458   0.488  -0.582  0.00  0.00    +0.197 A 
ATOM     13  C   LIG    1        6.470   1.818   0.896  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1        7.239   1.137   1.840  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1        8.338   1.732   2.324  0.00  0.00    -0.205 F 
ATOM     16  N   LIG    1        3.806  -0.512   0.197  0.00  0.00    -0.214 NA
ATOM     17  C   LIG    1        6.905  -0.135   2.291  0.00  0.00    +0.053 A 
BRANCH   7  21
ATOM     18  N   LIG    1        4.308  -2.736   1.794  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        3.725  -2.266   1.105  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        4.059  -3.660   2.116  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        5.428  -2.140   2.295  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        6.130  -2.706   3.124  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  12
BRANCH   4  23
ATOM     23  C   LIG    1       -1.327   0.705  -1.815  0.00  0.00    +0.140 A 
ATOM     24  N   LIG    1       -1.437   1.766  -0.984  0.00  0.00    -0.236 NA
ATOM     25  C   LIG    1       -2.524   1.801  -0.163  0.00  0.00    +0.146 A 
ATOM     26  C   LIG    1       -3.497   0.812  -0.146  0.00  0.00    +0.144 A 
ATOM     27  N   LIG    1       -3.422  -0.252  -0.982  0.00  0.00    -0.245 NA
ATOM     28  C   LIG    1       -2.337  -0.267  -1.803  0.00  0.00    +0.155 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -4.655   0.959   0.788  0.00  0.00    +0.266 C 
ATOM     30  N   LIG    1       -5.558  -0.076   0.981  0.00  0.00    -0.296 N 
ATOM     31  C   LIG    1       -6.713   0.104   1.843  0.00  0.00    +0.108 C 
ATOM     32  C   LIG    1       -7.590  -1.106   1.562  0.00  0.00    +0.020 C 
ATOM     33  C   LIG    1       -6.572  -2.189   1.237  0.00  0.00    +0.020 C 
ATOM     34  C   LIG    1       -5.504  -1.434   0.455  0.00  0.00    +0.108 C 
ATOM     35  O   LIG    1       -4.782   2.032   1.385  0.00  0.00    -0.268 OA
ENDBRANCH  26  29
ENDBRANCH   4  23
TORSDOF 4