REMARK  Name = BDB012720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.466  -0.287  -0.362  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.111  -0.784  -1.652  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.223  -0.421  -1.831  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.938  -0.724  -3.000  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        1.264  -1.424  -4.006  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -0.067  -1.801  -3.845  0.00  0.00    +0.042 A 
ATOM      7 CL   LIG    1       -0.860  -2.664  -5.107  0.00  0.00    -0.084 Cl
ATOM      8  N   LIG    1        1.569   0.235  -0.673  0.00  0.00    -0.257 N 
ATOM      9  C   LIG    1       -0.772  -1.492  -2.678  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.565   0.330   0.215  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.855   0.819  -0.375  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1        2.957   2.279  -0.776  0.00  0.00    +0.186 C 
ATOM     13  O   LIG    1        4.047   2.833  -0.019  0.00  0.00    -0.378 OA
ATOM     14  C   LIG    1        4.357   1.928   1.052  0.00  0.00    +0.162 C 
ATOM     15  C   LIG    1        3.262   0.882   1.086  0.00  0.00    +0.057 C 
ENDBRANCH   8  11
BRANCH   1  16
ATOM     16  N   LIG    1       -1.704  -0.466   0.159  0.00  0.00    -0.296 N 
ATOM     17  H   LIG    1       -2.392  -0.944  -0.431  0.00  0.00    +0.154 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -3.554  -0.438   1.777  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -2.306   0.042   1.334  0.00  0.00    +0.065 A 
ATOM     20  C   LIG    1       -1.708   0.981   2.171  0.00  0.00    +0.134 A 
ATOM     21  N   LIG    1       -2.262   1.477   3.311  0.00  0.00    -0.261 NA
ATOM     22  C   LIG    1       -3.482   1.028   3.652  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -4.167   0.076   2.927  0.00  0.00    +0.036 A 
BRANCH  18  25
ATOM     24  O   LIG    1       -4.204  -1.527  -0.228  0.00  0.00    -0.245 OA
ATOM     25  C   LIG    1       -4.250  -1.483   0.991  0.00  0.00    +0.339 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -4.879  -2.409   1.744  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -4.651  -2.395   2.693  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5