REMARK  Name = BDB011628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.477  -0.181  -1.250  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.692  -0.198  -0.521  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.577  -0.384   0.476  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.550  -0.139  -2.473  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.990  -0.140  -0.945  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.086  -0.471   0.016  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        2.893  -0.682   1.204  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        4.289  -0.423  -0.688  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        4.009   0.061  -2.000  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        4.742  -0.634  -3.066  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        2.611   0.193  -2.089  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        2.008   0.732  -3.346  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        5.555  -0.041  -0.057  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        6.023  -1.086   0.968  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        7.360  -0.693   1.593  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        7.302   0.701   2.212  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        6.832   1.746   1.204  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.496   1.360   0.571  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -3.574  -0.029  -2.177  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -3.056  -0.225  -0.798  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -3.778  -0.399   0.382  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1       -2.859  -0.465   1.402  0.00  0.00    -0.354 OA
ATOM     23  N   LIG    1       -1.576  -0.399   0.923  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.681  -0.266  -0.406  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -5.173  -0.483   0.654  0.00  0.00    -0.006 C 
ATOM     26  C   LIG    1       -5.867  -0.097   1.936  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1       -7.357  -0.059   1.537  0.00  0.00    -0.027 C 
ATOM     28  C   LIG    1       -8.262  -0.493   2.692  0.00  0.00    +0.011 C 
ATOM     29  C   LIG    1       -7.756   1.363   1.094  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1       -7.446  -1.036   0.347  0.00  0.00    +0.034 C 
ATOM     31  C   LIG    1       -6.055  -1.016  -0.206  0.00  0.00    -0.019 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4