REMARK  Name = BDB008385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.807  -3.411   0.968  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.752  -2.202   0.773  0.00  0.00    +0.253 C 
ATOM      3  N   LIG    1        0.607  -1.475   0.541  0.00  0.00    -0.280 N 
ATOM      4  H   LIG    1        0.705  -0.470   0.389  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.975  -1.414   0.767  0.00  0.00    +0.103 A 
ATOM      6  C   LIG    1        3.142  -0.054   0.564  0.00  0.00    +0.189 A 
ATOM      7  N   LIG    1        4.513   0.169   0.676  0.00  0.00    -0.127 N 
ATOM      8  N   LIG    1        5.147   1.360   0.563  0.00  0.00    -0.108 NA
ATOM      9  C   LIG    1        4.302   2.302   0.332  0.00  0.00    +0.250 A 
ATOM     10  C   LIG    1        2.810   2.126   0.197  0.00  0.00    +0.181 A 
ATOM     11  N   LIG    1        5.218  -0.941   0.920  0.00  0.00    -0.155 NA
ATOM     12  N   LIG    1        2.254   0.958   0.309  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1        4.288  -1.897   0.978  0.00  0.00    +0.151 A 
BRANCH   9  14
ATOM     14  O   LIG    1        4.711   3.558   0.187  0.00  0.00    -0.490 OA
ATOM     15  H   LIG    1        5.680   3.571   0.291  0.00  0.00    +0.294 HD
ENDBRANCH   9  14
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1       -0.736  -1.915   0.518  0.00  0.00    +0.056 A 
ATOM     17  C   LIG    1       -1.716  -0.929   0.212  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -3.066  -1.301   0.258  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1       -3.443  -2.609   0.570  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -2.469  -3.564   0.842  0.00  0.00    +0.043 A 
ATOM     21 CL   LIG    1       -2.945  -5.175   1.220  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -1.118  -3.226   0.820  0.00  0.00    +0.045 A 
BRANCH  17  23
ATOM     23  N   LIG    1       -1.303   0.365  -0.145  0.00  0.00    -0.328 N 
ATOM     24  C   LIG    1       -1.989   1.527   0.430  0.00  0.00    +0.105 C 
ATOM     25  C   LIG    1       -3.054   2.118  -0.495  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -2.543   2.300  -1.920  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -1.948   0.999  -2.449  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -0.832   0.505  -1.533  0.00  0.00    +0.105 C 
ENDBRANCH  17  23
ENDBRANCH   3  16
TORSDOF 4