REMARK  Name = BDB044956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.016  -0.909   0.561  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        0.620  -0.913   1.805  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        1.998  -0.803   1.825  0.00  0.00    +0.043 A 
ATOM      4  N   LIG    1        2.810  -0.794   2.952  0.00  0.00    -0.281 N 
ATOM      5  H   LIG    1        2.495  -0.876   3.907  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        4.153  -0.685   2.619  0.00  0.00    +0.249 C 
ATOM      7  C   LIG    1        4.175  -0.597   1.108  0.00  0.00    +0.048 C 
ATOM      8  C   LIG    1        5.206  -0.478   0.256  0.00  0.00    +0.039 C 
ATOM      9  O   LIG    1        5.073  -0.683   3.411  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.770  -0.690   0.667  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        2.155  -0.685  -0.571  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.757  -0.796  -0.617  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        6.570  -0.348   0.614  0.00  0.00    +0.040 A 
ATOM     14  N   LIG    1        7.507  -0.883  -0.244  0.00  0.00    -0.361 N 
ATOM     15  H   LIG    1        7.298  -1.393  -1.092  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1        8.771  -0.655   0.233  0.00  0.00    +0.083 A 
ATOM     17  C   LIG    1        8.655   0.048   1.408  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1        7.272   0.246   1.644  0.00  0.00    +0.027 A 
ENDBRANCH   8  13
BRANCH   1  20
ATOM     19  C   LIG    1       -2.383  -1.060   1.375  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1       -1.411  -1.022   0.394  0.00  0.00    -0.285 N 
ATOM     21  H   LIG    1       -1.749  -1.001  -0.570  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1       -2.188  -0.998   2.587  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -3.790  -1.269   0.858  0.00  0.00    +0.192 C 
BRANCH  23  25
ATOM     24  O   LIG    1       -3.424  -0.489  -1.355  0.00  0.00    -0.275 OA
ATOM     25  C   LIG    1       -4.143  -0.445  -0.358  0.00  0.00    +0.226 C 
ATOM     26  N   LIG    1       -5.301   0.295  -0.209  0.00  0.00    -0.285 N 
ATOM     27  H   LIG    1       -5.764   0.254   0.692  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -5.910   1.141  -1.161  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1       -5.432   1.328  -2.462  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -6.100   2.184  -3.345  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1       -7.244   2.850  -2.926  0.00  0.00    +0.124 A 
ATOM     32  F   LIG    1       -7.882   3.668  -3.773  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -7.735   2.678  -1.640  0.00  0.00    +0.040 A 
ATOM     34  C   LIG    1       -7.068   1.823  -0.758  0.00  0.00    +0.026 A 
ENDBRANCH  26  28
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 5