REMARK  Name = BDB050275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.344  -1.211  -1.313  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.172  -1.100  -0.551  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.044  -0.448  -1.066  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -0.086   0.090  -2.356  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.250  -0.016  -3.119  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.374  -0.659  -2.600  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.172  -0.346  -0.227  0.00  0.00    +0.091 C 
ATOM      8  C   LIG    1        2.349   0.471  -0.638  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1        3.031   0.552   0.710  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        2.602  -0.634   1.397  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1        1.317  -0.970   0.901  0.00  0.00    -0.088 NA
BRANCH   9  12
ATOM     12  C   LIG    1        4.537   0.639   0.597  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        5.338  -0.514   0.566  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        6.725  -0.413   0.436  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        7.322   0.840   0.331  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        9.030   0.965   0.168  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        6.543   1.995   0.353  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.155   1.895   0.483  0.00  0.00    +0.009 A 
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -3.569  -1.894  -0.742  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.469  -0.922   0.042  0.00  0.00    +0.230 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.851  -1.565   0.220  0.00  0.00    +0.334 C 
ATOM     22  O   LIG    1       -6.371  -2.395  -0.510  0.00  0.00    -0.248 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -6.545  -1.087   1.275  0.00  0.00    -0.479 OA
ATOM     24  H   LIG    1       -7.379  -1.601   1.266  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  O   LIG    1       -3.833  -0.650   1.297  0.00  0.00    -0.365 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -3.032   1.634   1.204  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1       -4.052   0.671   1.786  0.00  0.00    +0.157 C 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8