REMARK  Name = BDB064821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.966   1.410   0.120  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.902   0.799   0.161  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.652  -0.240  -0.699  0.00  0.00    -0.253 N 
ATOM      4  H   LIG    1       -4.447  -0.514  -1.262  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -2.708  -1.229  -0.530  0.00  0.00    +0.266 C 
ATOM      6  O   LIG    1       -2.860  -2.316  -1.080  0.00  0.00    -0.271 OA
ATOM      7  C   LIG    1       -1.502  -0.853   0.335  0.00  0.00    +0.220 C 
ATOM      8  O   LIG    1       -0.858  -2.037   0.825  0.00  0.00    -0.377 OA
ATOM      9  N   LIG    1        0.543  -1.826   0.814  0.00  0.00    -0.088 NA
ATOM     10  C   LIG    1        0.756  -0.797   0.064  0.00  0.00    +0.094 C 
ATOM     11  C   LIG    1       -0.452  -0.159  -0.519  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -1.990  -0.047   1.540  0.00  0.00    +0.070 C 
ATOM     13  C   LIG    1       -2.795   1.171   1.117  0.00  0.00    +0.100 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        2.093  -0.277  -0.226  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1        2.619   0.772   0.535  0.00  0.00    +0.051 A 
ATOM     16 CL   LIG    1        1.727   1.525   1.809  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        3.903   1.255   0.265  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        4.662   0.692  -0.761  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        4.136  -0.351  -1.524  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        2.852  -0.838  -1.260  0.00  0.00    +0.051 A 
ATOM     21 CL   LIG    1        2.250  -2.107  -2.264  0.00  0.00    -0.083 Cl
ENDBRANCH  10  14
TORSDOF 1