REMARK  Name = BDB022052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.180  -2.179   2.945  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        0.138  -1.395   3.075  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        1.200  -1.812   2.056  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        0.595  -2.115   0.760  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.993  -1.620  -0.475  0.00  0.00    +0.239 C 
ATOM      6  O   LIG    1        0.398  -1.904  -1.512  0.00  0.00    -0.271 OA
ATOM      7  C   LIG    1       -0.383  -3.208   0.750  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -1.018  -3.456   2.117  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1       -3.391  -1.267   3.048  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.333  -1.307   2.426  0.00  0.00    +0.220 C 
ATOM     11  N   LIG    1       -2.061  -0.644   1.246  0.00  0.00    -0.285 N 
ATOM     12  H   LIG    1       -1.154  -0.818   0.827  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.891   0.242   0.533  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -2.376   0.771  -0.660  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -3.118   1.679  -1.434  0.00  0.00    +0.057 A 
ATOM     16  C   LIG    1       -4.394   2.056  -0.996  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -4.915   1.529   0.185  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.165   0.627   0.947  0.00  0.00    +0.023 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -2.535   2.273  -2.691  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1       -1.525   1.530  -3.226  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -3.454   2.424  -3.685  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -2.009   3.511  -2.478  0.00  0.00    -0.166 F 
ENDBRANCH  15  19
ENDBRANCH  11  13
ENDBRANCH   1  10
BRANCH   5  23
ATOM     23  C   LIG    1        2.136  -0.677  -0.511  0.00  0.00    +0.068 C 
ATOM     24  C   LIG    1        2.167   0.271  -1.461  0.00  0.00    +0.013 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.244   1.260  -1.605  0.00  0.00    -0.025 A 
ATOM     26  C   LIG    1        2.920   2.547  -2.054  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        3.915   3.512  -2.229  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.247   3.196  -1.967  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.585   1.915  -1.538  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.589   0.949  -1.363  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH   5  23
TORSDOF 5