REMARK  Name = BDB022032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.004   0.125   0.266  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        1.143  -0.882   0.461  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        2.462  -0.182   0.762  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        2.777   0.846  -0.232  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        4.084   1.247  -0.528  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        4.369   2.251  -1.175  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.716   1.801  -0.529  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.388   1.119  -0.835  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.199   0.395  -0.086  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        5.833   0.600   1.142  0.00  0.00    +0.053 A 
ATOM     11 CL   LIG    1        5.331   1.826   2.248  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1        6.900  -0.224   1.508  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        7.332  -1.238   0.647  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.703  -1.430  -0.584  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.637  -0.612  -0.956  0.00  0.00    +0.014 A 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1       -2.376   0.288  -0.166  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -2.260   1.138   0.366  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -1.306  -0.590  -0.074  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1       -1.367  -1.809  -0.185  0.00  0.00    -0.275 OA
BRANCH  16  21
ATOM     20  C   LIG    1       -4.758   0.580   0.221  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1       -3.711  -0.062  -0.492  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -4.034  -0.967  -1.528  0.00  0.00    -0.029 A 
ATOM     23  C   LIG    1       -3.030  -1.581  -2.467  0.00  0.00    +0.045 C 
ATOM     24  C   LIG    1       -5.383  -1.304  -1.753  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -6.404  -0.715  -1.017  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -6.094   0.230  -0.048  0.00  0.00    +0.005 A 
BRANCH  20  28
ATOM     27  C   LIG    1       -4.133   0.935   2.640  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -4.524   1.593   1.324  0.00  0.00    +0.033 C 
ENDBRANCH  20  28
ENDBRANCH  16  21
ENDBRANCH   1  18
TORSDOF 4