REMARK  Name = BDB048451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.290   0.298   1.444  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.243  -0.976   1.220  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.595  -1.140   0.901  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.451  -0.034   0.797  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.913   1.242   1.031  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.562   1.407   1.349  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.875  -0.200   0.456  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        4.327  -0.809  -0.735  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        5.699  -0.988  -0.976  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        6.641  -0.539  -0.052  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.216   0.081   1.118  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.851   0.244   1.370  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1        3.417  -1.307  -1.794  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1        3.524  -2.421  -2.278  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        2.540  -0.382  -2.233  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        2.569   0.465  -1.750  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.754   0.483   1.788  0.00  0.00    +0.141 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.508   0.779  -0.620  0.00  0.00    +0.137 C 
ATOM     19  N   LIG    1       -2.650   0.117   0.696  0.00  0.00    -0.312 N 
ATOM     20  C   LIG    1       -3.217  -1.153   0.578  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1       -3.683  -1.502  -0.698  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.287  -2.724  -0.969  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -4.443  -3.638   0.069  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.002  -3.313   1.353  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.397  -2.075   1.608  0.00  0.00    +0.024 A 
ATOM     26  S   LIG    1       -3.398  -0.218  -1.870  0.00  0.00    -0.101 S 
BRANCH  18  27
ATOM     27  C   LIG    1       -3.057   2.214  -0.557  0.00  0.00    +0.033 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -1.462   3.241  -2.267  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -2.908   3.050  -1.835  0.00  0.00    -0.001 C 
ENDBRANCH  27  29
ENDBRANCH  18  27
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7