REMARK  Name = BDB011672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.400  -0.754  -3.141  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1       -0.164  -0.205  -3.966  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1  11
ATOM      3  C   LIG    1        6.745   1.892   1.541  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        5.566   1.374   2.326  0.00  0.00    +0.212 C 
ATOM      5  N   LIG    1        4.583   0.680   1.618  0.00  0.00    -0.302 N 
ATOM      6  C   LIG    1        3.382   0.311   2.362  0.00  0.00    +0.108 C 
ATOM      7  C   LIG    1        2.658  -0.889   1.755  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1        2.367  -0.736   0.241  0.00  0.00    -0.026 C 
ATOM      9  C   LIG    1        1.820  -2.091  -0.304  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1        0.581  -1.973  -1.197  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1        0.691  -0.793  -2.163  0.00  0.00    +0.072 C 
ATOM     12  C   LIG    1        0.921   0.552  -1.460  0.00  0.00    +0.023 C 
ATOM     13  C   LIG    1        1.329   0.391   0.007  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        3.724  -0.418  -0.439  0.00  0.00    +0.026 C 
ATOM     15  C   LIG    1        4.443   0.786   0.167  0.00  0.00    +0.108 C 
ATOM     16  O   LIG    1        5.509   1.559   3.542  0.00  0.00    -0.276 OA
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  C   LIG    1       -1.725  -0.490  -2.761  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1       -2.712  -0.395  -3.735  0.00  0.00    +0.099 A 
ATOM     19 CL   LIG    1       -2.389  -0.505  -5.421  0.00  0.00    -0.078 Cl
ATOM     20  C   LIG    1       -3.992  -0.179  -3.285  0.00  0.00    +0.137 A 
ATOM     21  N   LIG    1       -4.316  -0.067  -1.983  0.00  0.00    -0.221 NA
ATOM     22  C   LIG    1       -3.316  -0.183  -1.098  0.00  0.00    +0.221 A 
ATOM     23  N   LIG    1       -2.036  -0.393  -1.453  0.00  0.00    -0.198 NA
BRANCH  22  24
ATOM     24  N   LIG    1       -3.535  -0.092   0.277  0.00  0.00    -0.281 N 
ATOM     25  H   LIG    1       -2.639  -0.224   0.731  0.00  0.00    +0.155 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.654   0.109   0.999  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1       -5.943   0.297   0.568  0.00  0.00    +0.131 A 
ATOM     28  N   LIG    1       -6.698   0.455   1.693  0.00  0.00    -0.273 N 
ATOM     29  C   LIG    1       -8.122   0.680   1.756  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -5.987   0.385   2.835  0.00  0.00    -0.178 NA
ATOM     31  C   LIG    1       -4.739   0.172   2.406  0.00  0.00    +0.157 A 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   1  17
TORSDOF 4