REMARK  Name = BDB052662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.450  -0.187   0.601  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -2.454   0.757   0.230  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -3.909   0.743   0.355  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1       -4.646   1.944  -0.238  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -3.815   3.237  -0.193  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1       -2.440   3.071  -0.859  0.00  0.00    +0.054 C 
ATOM      7  O   LIG    1       -4.521  -0.204   0.844  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -1.806   1.833  -0.336  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1       -0.465   1.579  -0.344  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1        0.239   2.212  -0.712  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -0.216   0.347   0.220  0.00  0.00    +0.044 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.101  -0.183   0.340  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        2.279   0.347  -0.032  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        3.568  -0.346   0.170  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        4.559   0.503  -0.337  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        5.903   0.183  -0.320  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        6.258  -1.048   0.234  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        5.271  -1.904   0.745  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1        5.641  -3.079   1.271  0.00  0.00    -0.205 F 
ATOM     20  N   LIG    1        3.991   1.667  -0.837  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        4.492   2.437  -1.256  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        3.918  -1.567   0.721  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        2.614   1.663  -0.696  0.00  0.00    +0.249 C 
ATOM     24  O   LIG    1        1.856   2.548  -1.044  0.00  0.00    -0.270 OA
ENDBRANCH  11  12
BRANCH   1  25
ATOM     25  C   LIG    1       -1.702  -1.509   1.269  0.00  0.00    +0.049 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.059  -2.600   0.265  0.00  0.00    +0.125 C 
BRANCH  26  28
ATOM     27  O   LIG    1       -1.943  -4.214   2.094  0.00  0.00    -0.251 OA
ATOM     28  C   LIG    1       -2.273  -3.913   0.960  0.00  0.00    +0.305 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -2.864  -4.820   0.157  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -2.951  -5.616   0.722  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 5