REMARK  Name = BDB014358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.218  -1.830  -2.050  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.994  -1.533  -2.629  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        1.282  -2.246  -3.294  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.987  -2.572  -2.667  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.924  -0.557  -2.412  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.336  -0.783  -2.845  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        3.739  -1.843  -3.302  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        4.051   0.390  -2.596  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        3.176   1.284  -1.915  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        3.412   2.711  -2.099  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        1.895   0.703  -1.942  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        0.689   1.511  -1.579  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        5.481   0.327  -2.303  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        6.304   1.336  -3.109  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        7.807   1.074  -2.972  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        8.204   0.452  -1.631  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        7.244   0.840  -0.514  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.811   0.378  -0.798  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -3.159  -1.343  -0.821  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -1.853  -1.153  -0.146  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -1.609  -0.768   1.158  0.00  0.00    +0.169 A 
ATOM     22  O   LIG    1       -0.266  -0.737   1.367  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1        0.397  -1.108   0.222  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -0.547  -1.350  -0.702  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -2.438  -0.394   2.340  0.00  0.00    +0.187 C 
ATOM     26  O   LIG    1       -3.711  -1.029   2.176  0.00  0.00    -0.365 OA
ATOM     27  C   LIG    1       -4.763  -0.397   2.911  0.00  0.00    +0.125 C 
ATOM     28  C   LIG    1       -5.046   0.981   2.287  0.00  0.00    +0.032 C 
ATOM     29  C   LIG    1       -3.776   1.681   1.799  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -2.538   1.132   2.494  0.00  0.00    +0.040 C 
BRANCH  27  31
ATOM     31  C   LIG    1       -5.995  -1.351   2.979  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -6.473  -1.784   1.579  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -7.162  -0.682   3.726  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -5.593  -2.628   3.751  0.00  0.00    +0.013 C 
ENDBRANCH  27  31
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5