REMARK  Name = BDB046615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.948  -0.784  -0.443  0.00  0.00    +0.153 C 
ATOM      2  C   LIG    1       -0.709   0.526   0.326  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1        0.726   0.749   0.751  0.00  0.00    +0.084 A 
ATOM      4  C   LIG    1        1.770  -0.075   0.130  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        3.084   0.103   0.548  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        3.362   1.104   1.588  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1        2.278   1.814   2.048  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1        2.447   2.505   2.773  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1        4.501   1.298   1.999  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        4.115  -0.629  -0.041  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.817  -1.523  -1.067  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        2.494  -1.683  -1.492  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        1.446  -0.986  -0.876  0.00  0.00    +0.037 A 
ATOM     14  N   LIG    1        0.984   1.649   1.656  0.00  0.00    -0.174 NA
ATOM     15  N   LIG    1        0.144  -1.103  -1.395  0.00  0.00    -0.333 N 
ATOM     16  H   LIG    1        0.008  -2.053  -1.748  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -3.686  -1.274   0.932  0.00  0.00    +0.150 C 
ATOM     18  N   LIG    1       -2.514  -2.103   1.093  0.00  0.00    -0.336 N 
ATOM     19  C   LIG    1       -1.278  -1.923   0.505  0.00  0.00    +0.131 A 
ATOM     20  N   LIG    1       -0.454  -2.890   0.872  0.00  0.00    -0.239 NA
ATOM     21  C   LIG    1       -1.163  -3.691   1.725  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1       -2.445  -3.222   1.876  0.00  0.00    +0.106 A 
ENDBRANCH   1  19
BRANCH   2  23
ATOM     23  C   LIG    1       -1.325   1.698  -0.398  0.00  0.00    +0.121 A 
ATOM     24  N   LIG    1       -0.735   2.542  -1.315  0.00  0.00    -0.337 N 
ATOM     25  C   LIG    1        0.617   2.529  -1.817  0.00  0.00    +0.150 C 
ATOM     26  C   LIG    1       -1.686   3.441  -1.724  0.00  0.00    +0.106 A 
ATOM     27  C   LIG    1       -2.831   3.093  -1.057  0.00  0.00    +0.130 A 
ATOM     28  N   LIG    1       -2.607   2.007  -0.260  0.00  0.00    -0.240 NA
ENDBRANCH   2  23
TORSDOF 2