REMARK  Name = BDB058170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.452   0.335   0.258  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        2.006   1.590   0.133  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        1.433   2.408  -0.014  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        3.357   1.822   0.089  0.00  0.00    +0.260 A 
ATOM      5  O   LIG    1        3.821   2.945  -0.062  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        4.211   0.633   0.228  0.00  0.00    +0.066 A 
ATOM      7  C   LIG    1        3.572  -0.603   0.354  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        4.358  -1.750   0.484  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        5.753  -1.659   0.485  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        6.369  -0.413   0.356  0.00  0.00    +0.042 A 
ATOM     11 CL   LIG    1        8.086  -0.307   0.357  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        5.605   0.742   0.226  0.00  0.00    +0.035 A 
ATOM     13  N   LIG    1        2.175  -0.736   0.356  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -2.855   0.005   0.227  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.226   1.169   0.712  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -0.833   1.293   0.734  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -0.033   0.252   0.257  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1       -0.641  -0.913  -0.221  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -2.035  -1.032  -0.242  0.00  0.00    +0.007 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.954   0.819  -0.889  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -4.381  -0.075   0.216  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -4.954  -1.492   0.074  0.00  0.00    +0.046 C 
BRANCH  21  23
ATOM     23  O   LIG    1       -4.871   0.423   1.469  0.00  0.00    -0.385 OA
ATOM     24  H   LIG    1       -4.336   0.006   2.167  0.00  0.00    +0.211 HD
ENDBRANCH  21  23
ENDBRANCH  14  21
ENDBRANCH   1  17
TORSDOF 3