REMARK  Name = BDB037051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.101  -0.091  -0.356  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        0.829   0.948   0.222  0.00  0.00    +0.266 C 
ATOM      3  O   LIG    1        0.394   2.002   0.644  0.00  0.00    -0.268 OA
ATOM      4  C   LIG    1        2.239   0.508   0.248  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1        2.289  -0.796  -0.219  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        3.513  -1.432  -0.279  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        4.631  -0.705   0.135  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        4.458   0.608   0.585  0.00  0.00    +0.130 A 
ATOM      9 CL   LIG    1        5.809   1.532   1.100  0.00  0.00    -0.062 Cl
ATOM     10  N   LIG    1        3.277   1.253   0.657  0.00  0.00    -0.230 NA
ATOM     11  C   LIG    1        0.923  -1.276  -0.558  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.229   0.654   0.836  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.059   0.489   0.501  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.164  -0.128   1.338  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.521  -0.398   2.244  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -1.882  -0.534   1.051  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.257  -1.238   1.844  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.357  -0.172  -0.347  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -2.053   1.083  -0.874  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.557   0.861  -0.876  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 1