REMARK  Name = BDB037053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.362   0.072   0.402  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        1.373   0.938   0.823  0.00  0.00    +0.266 C 
ATOM      3  O   LIG    1        1.242   1.919   1.529  0.00  0.00    -0.268 OA
ATOM      4  C   LIG    1        2.628   0.432   0.236  0.00  0.00    +0.135 A 
ATOM      5  C   LIG    1        2.312  -0.646  -0.557  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        3.358  -1.242  -1.190  0.00  0.00    +0.121 A 
ATOM      7  N   LIG    1        4.619  -0.793  -1.031  0.00  0.00    -0.225 NA
ATOM      8  C   LIG    1        4.786   0.278  -0.219  0.00  0.00    +0.223 A 
ATOM      9 CL   LIG    1        6.389   0.829  -0.027  0.00  0.00    -0.041 Cl
ATOM     10  N   LIG    1        3.842   0.944   0.450  0.00  0.00    -0.212 NA
ATOM     11  C   LIG    1        0.857  -0.912  -0.554  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.027   0.324  -0.493  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.870   0.422  -0.098  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -2.978   1.258  -0.721  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.338   1.696  -1.559  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -1.611   1.107  -0.699  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -0.923   1.490  -1.643  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.049   0.413   0.554  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -1.915  -0.801   0.873  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.352  -0.350   1.093  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 1