REMARK  Name = BDB014388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.462  -1.960   0.331  0.00  0.00    -0.311 N 
ATOM      2  C   LIG    1        0.703  -1.803  -0.937  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -0.788  -2.190  -0.792  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -1.453  -1.418   0.270  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.582  -0.932   1.363  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        0.624  -1.872   1.554  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.640  -0.792   0.097  0.00  0.00    +0.197 A 
ATOM      8  N   LIG    1       -3.581  -1.249  -0.792  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -3.487  -2.072  -1.363  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.681  -0.433  -0.731  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -4.357   0.509   0.243  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1       -5.294   1.514   0.561  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -6.524   1.527  -0.118  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -6.805   0.564  -1.081  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1       -7.987   0.600  -1.713  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -5.897  -0.442  -1.415  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1       -3.096   0.255   0.747  0.00  0.00    -0.214 NA
BRANCH  12  18
ATOM     18  C   LIG    1       -5.021   2.550   1.583  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -5.846   3.416   1.849  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1       -3.815   2.505   2.219  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -3.601   3.201   2.918  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -3.128   1.787   1.997  0.00  0.00    +0.145 HD
ENDBRANCH  12  18
ENDBRANCH   4   7
BRANCH   1  26
ATOM     23  C   LIG    1        4.816   0.445   0.291  0.00  0.00    +0.143 A 
ATOM     24  N   LIG    1        4.748  -0.529  -0.656  0.00  0.00    -0.245 NA
ATOM     25  C   LIG    1        3.627  -1.294  -0.588  0.00  0.00    +0.155 A 
ATOM     26  C   LIG    1        2.596  -1.122   0.352  0.00  0.00    +0.140 A 
ATOM     27  N   LIG    1        2.704  -0.145   1.282  0.00  0.00    -0.236 NA
ATOM     28  C   LIG    1        3.822   0.629   1.236  0.00  0.00    +0.146 A 
BRANCH  23  32
ATOM     29  C   LIG    1        8.198   1.710  -0.804  0.00  0.00    +0.128 C 
ATOM     30  N   LIG    1        6.923   1.051  -0.717  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1        6.731   0.231  -1.286  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1        6.019   1.323   0.289  0.00  0.00    +0.264 C 
ATOM     33  O   LIG    1        6.167   2.200   1.132  0.00  0.00    -0.268 OA
ENDBRANCH  23  32
ENDBRANCH   1  26
TORSDOF 4