REMARK  Name = BDB062250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.024  -0.308   0.363  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        1.827  -1.013  -0.860  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1        0.785  -0.613  -1.683  0.00  0.00    -0.266 N 
ATOM      4  C   LIG    1        0.845  -1.476  -2.748  0.00  0.00    +0.231 A 
ATOM      5  N   LIG    1        1.845  -2.314  -2.606  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.100   0.457  -1.409  0.00  0.00    +0.149 A 
ATOM      7  N   LIG    1       -1.095   0.768  -2.345  0.00  0.00    -0.323 N 
ATOM      8  H   LIG    1       -0.705   0.772  -3.288  0.00  0.00    +0.148 HD
ATOM      9  C   LIG    1       -2.393   0.085  -2.385  0.00  0.00    +0.141 C 
ATOM     10  C   LIG    1       -2.916  -0.334  -1.042  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -3.167   0.548   0.008  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -3.023   2.030   0.120  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -1.744   2.722  -0.352  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -0.569   2.208   0.273  0.00  0.00    -0.488 OA
ATOM     15  C   LIG    1       -3.197   2.168   1.643  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.976   1.054   2.125  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1       -3.733   0.078   1.194  0.00  0.00    +0.125 A 
ATOM     18  C   LIG    1       -4.051  -1.250   1.402  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -3.779  -2.148   0.375  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1       -3.225  -1.688  -0.824  0.00  0.00    +0.129 A 
ATOM     21  F   LIG    1       -3.003  -2.581  -1.800  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        0.105   1.132  -0.244  0.00  0.00    +0.159 A 
ATOM     23  N   LIG    1        2.463  -2.025  -1.414  0.00  0.00    -0.129 NA
ATOM     24  C   LIG    1        1.192   0.719   0.641  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   1  27
ATOM     25  C   LIG    1        4.897   0.439  -0.081  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1        4.426  -0.271   1.157  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        3.082  -0.624   1.342  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        2.740  -1.296   2.524  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        3.720  -1.590   3.466  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        5.018  -1.197   3.200  0.00  0.00    +0.111 A 
ATOM     31  N   LIG    1        5.389  -0.544   2.078  0.00  0.00    -0.260 NA
ENDBRANCH   1  27
TORSDOF 1