REMARK  Name = BDB017186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.079   0.772  -1.041  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1        0.159   1.645  -1.906  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.332   0.331  -0.347  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        2.532   0.979  -0.678  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        3.747   0.619  -0.072  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1        5.001   1.374  -0.442  0.00  0.00    +0.035 C 
ATOM      7  C   LIG    1        6.282   0.659  -0.018  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        6.172   0.181   1.425  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1        5.040  -0.834   1.566  0.00  0.00    +0.035 C 
ATOM     10  C   LIG    1        3.758  -0.393   0.902  0.00  0.00    -0.044 A 
ATOM     11  C   LIG    1        2.562  -1.049   1.222  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        1.359  -0.690   0.607  0.00  0.00    +0.011 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     13  N   LIG    1       -3.755   0.522  -0.741  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1       -2.416   1.092  -0.999  0.00  0.00    +0.095 C 
ATOM     15  C   LIG    1       -1.257   0.127  -0.681  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -1.439  -1.181  -1.458  0.00  0.00    +0.014 C 
ATOM     17  C   LIG    1       -2.830  -1.765  -1.231  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -3.925  -0.728  -1.495  0.00  0.00    +0.084 C 
BRANCH  13  19
ATOM     19  C   LIG    1       -4.040   0.411   0.697  0.00  0.00    +0.084 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -5.809   0.218   2.485  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -5.529   0.183   0.989  0.00  0.00    +0.012 C 
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  15
TORSDOF 4