REMARK  Name = BDB007545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.513  -2.361   2.407  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.262  -1.649   1.517  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.046  -0.721   1.248  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.084  -3.290   3.082  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -4.584  -1.114   2.904  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1       -3.927  -0.834   1.679  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1       -2.607  -1.270   1.511  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -1.925  -1.912   2.555  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -2.582  -2.166   3.762  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -3.908  -1.768   3.938  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -6.653  -1.110   4.091  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -5.884  -0.663   2.981  0.00  0.00    -0.493 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  N   LIG    1       -4.660  -0.225   0.644  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1       -5.528   0.148   1.038  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -4.016   0.668  -0.324  0.00  0.00    +0.075 C 
ATOM     16  C   LIG    1       -3.531   1.969   0.334  0.00  0.00    +0.050 C 
ATOM     17  C   LIG    1       -4.478   3.120   0.034  0.00  0.00    +0.161 C 
ATOM     18  O   LIG    1       -4.595   3.372  -1.366  0.00  0.00    -0.380 OA
ATOM     19  C   LIG    1       -4.611   2.211  -2.197  0.00  0.00    +0.161 C 
ATOM     20  C   LIG    1       -5.013   0.947  -1.457  0.00  0.00    +0.050 C 
ENDBRANCH  13  15
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  21
ATOM     21  C   LIG    1        1.699  -1.851   1.450  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.278  -1.238   0.165  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1        1.886   0.142   0.116  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        2.126   0.461  -0.772  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        3.817  -1.397   0.150  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.569  -0.894  -1.011  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        4.936   0.524  -0.908  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        5.662   1.061  -2.125  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        5.670   0.356  -3.343  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        6.337   0.890  -4.453  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        6.973   2.128  -4.364  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.953   2.839  -3.167  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.024  -1.003  -3.428  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        6.299   2.310  -2.053  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        3.995  -1.231  -2.312  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 9