REMARK  Name = BDB043939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.820  -2.946  -0.613  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.021  -1.710   0.004  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.328  -0.557  -0.422  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1       -0.416  -0.675  -1.496  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -0.222  -1.917  -2.114  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.919  -3.041  -1.672  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.368   0.461  -1.996  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        1.493   0.938  -1.444  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1        2.280   0.527  -0.279  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        3.321   1.460  -0.177  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.277   1.406   0.818  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        4.178   0.366   1.745  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        3.144  -0.582   1.645  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1        3.052  -1.853   2.804  0.00  0.00    -0.084 Cl
ATOM     15  N   LIG    1        3.241   2.401  -1.199  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1        3.875   3.172  -1.347  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        2.188  -0.514   0.627  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        2.159   2.156  -2.028  0.00  0.00    +0.249 C 
ATOM     19  O   LIG    1        1.822   2.788  -3.010  0.00  0.00    -0.270 OA
ENDBRANCH   4   7
BRANCH   3  20
ATOM     20  C   LIG    1       -1.574   0.721   0.272  0.00  0.00    -0.017 A 
ATOM     21  C   LIG    1       -2.207   1.790  -0.382  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.428   3.004   0.276  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.022   3.157   1.599  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.291   4.650   2.410  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.400   2.107   2.270  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.180   0.895   1.610  0.00  0.00    +0.010 A 
ENDBRANCH   3  20
BRANCH   1  28
ATOM     27  C   LIG    1       -3.376  -4.080   0.785  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -2.435  -4.122  -0.281  0.00  0.00    -0.495 OA
ENDBRANCH   1  28
TORSDOF 3