REMARK  Name = BDB061968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.143   0.283  -0.687  0.00  0.00    +0.228 A 
ATOM      2  O   LIG    1       -2.241  -0.147   0.257  0.00  0.00    -0.435 OA
ATOM      3  C   LIG    1       -1.029   0.194  -0.267  0.00  0.00    +0.157 A 
ATOM      4  C   LIG    1       -1.251   0.805  -1.487  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -0.150   1.248  -2.225  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        1.136   1.050  -1.687  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        1.329   0.426  -0.445  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        0.223  -0.021   0.299  0.00  0.00    +0.071 A 
ATOM      9  N   LIG    1       -2.596   0.856  -1.745  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -8.766  -0.574   0.385  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -7.306  -0.381   0.102  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1       -6.343  -0.780   1.035  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -4.982  -0.572   0.785  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -4.557   0.051  -0.397  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -5.529   0.462  -1.320  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -6.889   0.253  -1.072  0.00  0.00    +0.004 A 
ENDBRANCH   1  14
BRANCH   7  17
ATOM     17  N   LIG    1        2.600   0.205   0.131  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        2.593  -0.252   1.036  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        3.831   0.583  -0.367  0.00  0.00    +0.250 C 
ATOM     20  O   LIG    1        4.043   1.169  -1.422  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.021   0.184   0.441  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1        5.076   0.186   1.844  0.00  0.00    +0.053 A 
ATOM     23 CL   LIG    1        3.760   0.681   2.849  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        6.253  -0.200   2.501  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        7.383  -0.583   1.774  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        7.335  -0.574   0.376  0.00  0.00    +0.127 A 
ATOM     27  C   LIG    1        6.165  -0.191  -0.292  0.00  0.00    +0.047 A 
BRANCH  26  28
ATOM     28  N   LIG    1        8.521  -0.973  -0.394  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        8.396  -1.095  -1.620  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        9.570  -1.172   0.233  0.00  0.00    -0.126 OA
ENDBRANCH  26  28
ENDBRANCH  19  21
ENDBRANCH   7  17
TORSDOF 4