REMARK  Name = BDB059055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.198   0.949  -0.246  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.129   0.307   0.184  0.00  0.00    -0.035 A 
ATOM      3  C   LIG    1        1.640   0.355   1.439  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        2.884  -0.267   1.734  0.00  0.00    +0.161 A 
ATOM      5  N   LIG    1        3.542  -0.907   0.701  0.00  0.00    -0.289 N 
ATOM      6  C   LIG    1        4.684  -1.403   1.261  0.00  0.00    +0.229 A 
ATOM      7  N   LIG    1        4.730  -1.095   2.538  0.00  0.00    -0.137 NA
ATOM      8  C   LIG    1        3.056  -0.971  -0.598  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        3.591  -0.376   2.838  0.00  0.00    -0.130 NA
ATOM     10  C   LIG    1        1.880  -0.385  -0.880  0.00  0.00    +0.022 A 
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1       -1.262  -0.116  -0.525  0.00  0.00    -0.039 A 
ATOM     12  C   LIG    1       -1.898  -0.156  -1.778  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -2.877  -1.115  -2.049  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.230  -2.040  -1.071  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -4.435  -3.221  -1.406  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -2.615  -2.014   0.178  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.637  -1.054   0.451  0.00  0.00    +0.005 A 
ENDBRANCH   1  11
BRANCH   1  18
ATOM     18  C   LIG    1       -0.741   2.016   0.726  0.00  0.00    +0.133 C 
BRANCH  18  20
ATOM     19  O   LIG    1       -1.913   3.149  -1.092  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1       -1.820   2.846   0.086  0.00  0.00    +0.306 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.709   3.309   0.986  0.00  0.00    -0.481 OA
ATOM     22  H   LIG    1       -3.342   3.838   0.457  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5