REMARK  Name = BDB045852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.545  -2.575  -1.566  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.291  -1.588  -0.892  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -1.315  -0.612  -0.485  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.908   0.514   0.229  0.00  0.00    +0.135 A 
ATOM      5  C   LIG    1       -1.839   1.493   0.570  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.181   1.326   0.221  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -3.590   0.188  -0.479  0.00  0.00    +0.001 A 
ATOM      8  O   LIG    1        0.395   0.732   0.586  0.00  0.00    -0.470 OA
ATOM      9  C   LIG    1        1.165  -0.472   0.689  0.00  0.00    +0.263 C 
ATOM     10  C   LIG    1       -2.656  -0.784  -0.839  0.00  0.00    +0.017 A 
ATOM     11  N   LIG    1        0.982  -1.308  -0.468  0.00  0.00    -0.276 N 
ATOM     12  H   LIG    1        1.613  -2.086  -0.617  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        2.634  -0.098   0.889  0.00  0.00    +0.081 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.166   0.791  -0.229  0.00  0.00    +0.114 C 
ATOM     15 CL   LIG    1        4.885   1.165   0.056  0.00  0.00    -0.125 Cl
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 2