REMARK  Name = BDB017158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.271   0.478  -0.029  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        1.593  -0.188  -1.211  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.925  -0.495  -1.526  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.974  -0.123  -0.644  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        5.289  -0.493  -1.017  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        5.560  -1.175  -2.205  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.523  -1.515  -3.059  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.655   0.588   0.553  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1        3.214  -1.179  -2.720  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        2.302   0.858   0.839  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -0.136   0.822   0.355  0.00  0.00    +0.167 C 
ATOM     12  O   LIG    1       -0.321   1.574   1.312  0.00  0.00    -0.292 OA
BRANCH  11  15
ATOM     13  N   LIG    1       -3.680  -0.491  -0.261  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1       -2.538   0.114   0.452  0.00  0.00    +0.095 C 
ATOM     15  C   LIG    1       -1.304   0.264  -0.454  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -1.605   1.177  -1.651  0.00  0.00    +0.014 C 
ATOM     17  C   LIG    1       -3.103   1.319  -1.911  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -3.837   0.009  -1.637  0.00  0.00    +0.084 C 
BRANCH  13  19
ATOM     19  C   LIG    1       -4.937  -0.369   0.497  0.00  0.00    +0.084 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -6.264  -1.030   2.538  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.900  -1.066   1.863  0.00  0.00    +0.012 C 
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   8  22
ATOM     22  C   LIG    1        4.749   1.038   1.512  0.00  0.00    +0.142 C 
ATOM     23  C   LIG    1        4.371   2.102   2.543  0.00  0.00    +0.043 C 
BRANCH  22  24
ATOM     24  O   LIG    1        5.223  -0.115   2.206  0.00  0.00    -0.387 OA
ATOM     25  H   LIG    1        5.910   0.179   2.827  0.00  0.00    +0.210 HD
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 6