REMARK  Name = BDB050191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.100   1.490   1.873  0.00  0.00    +0.039 C 
ATOM      2  C   LIG    1        2.499   1.286   0.436  0.00  0.00    -0.076 C 
ATOM      3  C   LIG    1        1.645   1.244  -0.607  0.00  0.00    -0.028 C 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        3.994   1.142   0.196  0.00  0.00    +0.034 C 
BRANCH   4   5
ATOM      5  C   LIG    1        4.588  -0.195   0.667  0.00  0.00    +0.032 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.999  -1.387  -0.041  0.00  0.00    -0.016 C 
ATOM      7  C   LIG    1        4.563  -2.104  -1.034  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1        5.874  -1.831  -1.705  0.00  0.00    +0.051 C 
BRANCH   7   9
ATOM      9  C   LIG    1        3.804  -3.243  -1.619  0.00  0.00    +0.332 C 
ATOM     10  O   LIG    1        3.719  -3.451  -2.816  0.00  0.00    -0.246 OA
BRANCH   9  11
ATOM     11  O   LIG    1        3.272  -4.056  -0.682  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1        3.541  -3.823   0.225  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   2   4
BRANCH   3  13
ATOM     13  C   LIG    1        0.145   1.378  -0.596  0.00  0.00    +0.031 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.530   0.039  -0.933  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.054   0.004  -0.998  0.00  0.00    -0.076 C 
ATOM     16  C   LIG    1       -2.838   1.076  -0.759  0.00  0.00    -0.020 C 
ATOM     17  C   LIG    1       -2.582  -1.365  -1.351  0.00  0.00    +0.039 C 
BRANCH  16  18
ATOM     18  C   LIG    1       -4.343   1.175  -0.807  0.00  0.00    +0.101 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.976   1.410   0.522  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -5.232   0.595   1.612  0.00  0.00    -0.009 A 
ATOM     21  C   LIG    1       -4.908  -0.845   1.751  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1       -5.863   1.432   2.575  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -5.947   2.683   2.012  0.00  0.00    +0.195 A 
ATOM     24  O   LIG    1       -5.411   2.679   0.767  0.00  0.00    -0.467 OA
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 10