REMARK  Name = BDB058443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.257   0.485   2.116  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -0.584   1.029   0.885  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -1.280   1.120  -0.332  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -0.629   1.623  -1.461  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.707   2.032  -1.385  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.412   1.952  -0.178  0.00  0.00    -0.030 A 
ATOM      7  C   LIG    1        0.757   1.442   0.951  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   8
ATOM      8  O   LIG    1       -2.582   0.693  -0.301  0.00  0.00    -0.487 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -3.317   0.717  -1.522  0.00  0.00    +0.264 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.689   0.139  -1.265  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1       -4.822  -1.176  -0.785  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -6.086  -1.721  -0.558  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -7.217  -0.956  -0.811  0.00  0.00    +0.123 A 
ATOM     14  F   LIG    1       -8.431  -1.480  -0.594  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -7.109   0.345  -1.288  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -5.846   0.894  -1.516  0.00  0.00    +0.010 A 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   3   8
BRANCH   6  17
ATOM     17  C   LIG    1        2.861   2.374  -0.106  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.738   1.305  -0.579  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1        3.448   0.981  -1.499  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.097   0.241   0.253  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1        4.469  -0.976  -0.341  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        4.899  -2.070   0.429  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1        4.990  -1.948   1.814  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        4.668  -0.734   2.400  0.00  0.00    +0.126 A 
ATOM     25  F   LIG    1        4.777  -0.598   3.728  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        4.241   0.353   1.638  0.00  0.00    +0.061 A 
BRANCH  22  27
ATOM     27  C   LIG    1        5.248  -3.327  -0.273  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        5.188  -3.514  -1.474  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.656  -4.294   0.567  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        5.850  -5.053  -0.023  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  22  27
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 8