REMARK  Name = BDB052660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.156   1.105   0.601  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -0.433   2.053  -0.431  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -1.310   3.219  -0.491  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1       -1.384   3.938  -1.838  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -0.075   3.843  -2.637  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1        0.383   2.390  -2.834  0.00  0.00    +0.054 C 
ATOM      7  O   LIG    1       -2.004   3.577   0.457  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1        0.330   1.695  -1.522  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1        1.046   0.577  -1.205  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1        1.686   0.105  -1.839  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1        0.774   0.194   0.088  0.00  0.00    +0.044 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.389  -0.942   0.690  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        2.271  -1.816   0.178  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        2.812  -2.954   0.949  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        3.688  -3.633   0.093  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        4.386  -4.763   0.476  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        4.188  -5.224   1.778  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        3.312  -4.549   2.641  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1        3.142  -5.013   3.886  0.00  0.00    -0.205 F 
ATOM     20  N   LIG    1        3.736  -3.010  -1.146  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        4.293  -3.304  -1.935  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        2.615  -3.409   2.241  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        2.911  -1.899  -1.189  0.00  0.00    +0.249 C 
ATOM     24  O   LIG    1        2.755  -1.161  -2.143  0.00  0.00    -0.270 OA
ENDBRANCH  11  12
BRANCH   1  25
ATOM     25  C   LIG    1       -0.755   1.095   1.981  0.00  0.00    +0.049 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.895   0.097   2.136  0.00  0.00    +0.125 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.210   0.674   1.686  0.00  0.00    +0.307 C 
ATOM     28  O   LIG    1       -4.032   1.168   2.447  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -3.363   0.539   0.341  0.00  0.00    -0.465 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -4.582   0.922  -1.674  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1       -4.572   1.111  -0.170  0.00  0.00    +0.229 C 
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 6