REMARK  Name = BDB011619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.334  -1.304   2.306  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.531  -0.640   1.461  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.142   0.119   0.908  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.019  -2.004   3.249  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.897  -0.692   1.414  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.631   0.356   0.643  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        2.060   1.184  -0.052  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        3.995   0.133   0.824  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        4.144  -1.093   1.540  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        5.189  -1.064   2.572  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        2.846  -1.521   1.879  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        2.670  -2.815   2.605  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        4.984   0.469  -0.202  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        5.155   1.994  -0.355  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        5.659   2.414  -1.738  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        6.554   1.354  -2.363  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        5.818   0.027  -2.558  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        4.689  -0.202  -1.549  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -1.814  -0.899  -0.609  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -2.409  -0.852   0.752  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -3.743  -0.619   1.072  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1       -3.855  -0.692   2.435  0.00  0.00    -0.354 OA
ATOM     23  N   LIG    1       -2.643  -0.970   3.012  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.754  -1.046   2.012  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.864  -0.340   0.219  0.00  0.00    -0.000 C 
ATOM     26  C   LIG    1       -5.447   1.070   0.014  0.00  0.00    -0.007 C 
ATOM     27  C   LIG    1       -5.595   1.813   1.359  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -4.483   1.878  -0.881  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1       -6.853   1.017  -0.643  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1       -6.917   0.033  -1.806  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -6.563  -1.375  -1.342  0.00  0.00    +0.027 C 
ATOM     32  C   LIG    1       -5.402  -1.417  -0.393  0.00  0.00    -0.019 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4