REMARK  Name = BDB052429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.671  -0.102  -0.557  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.030  -0.032   0.691  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1        1.263  -0.531   0.882  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        1.962  -1.114  -0.180  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1        1.340  -1.192  -1.431  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.046  -0.691  -1.611  0.00  0.00    +0.124 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.166  -0.366   0.022  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1       -2.087   0.431  -0.782  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1       -2.161   1.933  -0.550  0.00  0.00    -0.019 C 
ATOM     10  C   LIG    1       -3.162   2.551   0.101  0.00  0.00    -0.076 C 
ATOM     11  C   LIG    1       -3.157   4.030   0.351  0.00  0.00    +0.039 C 
ATOM     12  C   LIG    1       -4.352   1.792   0.629  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -4.504   0.400   0.013  0.00  0.00    +0.013 C 
BRANCH   7  15
ATOM     14  C   LIG    1       -3.912  -2.131  -1.639  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -3.340  -1.809  -0.466  0.00  0.00    -0.076 C 
ATOM     16  C   LIG    1       -2.822  -2.876   0.459  0.00  0.00    +0.039 C 
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   2  17
ATOM     17  O   LIG    1       -0.680   0.535   1.753  0.00  0.00    -0.506 OA
ATOM     18  H   LIG    1       -0.073   0.591   2.507  0.00  0.00    +0.292 HD
ENDBRANCH   2  17
BRANCH   6  19
ATOM     19  O   LIG    1       -0.529  -0.778  -2.850  0.00  0.00    -0.506 OA
ATOM     20  H   LIG    1        0.065  -1.263  -3.444  0.00  0.00    +0.292 HD
ENDBRANCH   6  19
BRANCH   4  21
ATOM     21  C   LIG    1        3.360  -1.648   0.018  0.00  0.00    +0.035 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.444  -0.824  -0.687  0.00  0.00    +0.005 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.609   0.614  -0.179  0.00  0.00    +0.000 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.969   0.758   1.302  0.00  0.00    -0.003 C 
ATOM     25  C   LIG    1        6.278   0.084   1.679  0.00  0.00    +0.004 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 8