REMARK  Name = BDB053579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.193  -1.778  -0.448  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.402  -0.618  -0.096  0.00  0.00    +0.252 C 
ATOM      3  N   LIG    1       -0.579   0.316   0.173  0.00  0.00    -0.280 N 
ATOM      4  H   LIG    1       -0.317   1.250   0.457  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.839  -0.196   0.049  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        2.866  -1.130  -0.220  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1        4.214  -0.763  -0.092  0.00  0.00    +0.084 A 
ATOM      8 CL   LIG    1        5.491  -1.883  -0.413  0.00  0.00    -0.080 Cl
ATOM      9  C   LIG    1        4.561   0.526   0.301  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        3.557   1.448   0.566  0.00  0.00    +0.043 A 
ATOM     11 CL   LIG    1        3.978   3.045   1.052  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1        2.208   1.101   0.444  0.00  0.00    +0.036 A 
BRANCH   6  13
ATOM     13  O   LIG    1        2.599  -2.421  -0.612  0.00  0.00    -0.505 OA
ATOM     14  H   LIG    1        1.624  -2.544  -0.661  0.00  0.00    +0.292 HD
ENDBRANCH   6  13
ENDBRANCH   2   5
BRANCH   3  15
ATOM     15  C   LIG    1       -1.988   0.147   0.104  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1       -2.804   1.251   0.426  0.00  0.00    +0.062 A 
ATOM     17 CL   LIG    1       -2.103   2.767   0.891  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1       -4.198   1.158   0.381  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -4.799  -0.042   0.012  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.006  -1.141  -0.309  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.610  -1.049  -0.264  0.00  0.00    +0.025 A 
ENDBRANCH   3  15
TORSDOF 3