REMARK  Name = BDB052663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.248  -1.973   0.683  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1       -4.186  -1.054  -0.556  0.00  0.00    -0.023 C 
ATOM      3  C   LIG    1       -2.830  -1.235  -1.298  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1       -1.750  -0.519  -0.567  0.00  0.00    +0.028 A 
ATOM      5  N   LIG    1       -0.418  -0.793  -0.690  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1       -0.032  -1.514  -1.294  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        0.313   0.046   0.120  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -0.598   0.872   0.784  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1       -1.903   0.514   0.329  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -3.228   1.030   0.654  0.00  0.00    +0.166 C 
ATOM     11  O   LIG    1       -3.402   1.942   1.459  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1       -4.396   0.427  -0.128  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1       -5.327  -1.461  -1.507  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        1.736  -0.007   0.188  0.00  0.00    +0.039 C 
ATOM     15  C   LIG    1        2.598  -0.817  -0.450  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1        4.061  -0.737  -0.262  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        4.621  -1.725  -1.079  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        5.982  -1.947  -1.163  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        6.809  -1.135  -0.386  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        6.256  -0.143   0.436  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1        7.074   0.622   1.171  0.00  0.00    -0.205 F 
ATOM     22  N   LIG    1        3.626  -2.413  -1.761  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1        3.771  -3.170  -2.412  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1        4.879   0.070   0.510  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        2.367  -1.932  -1.444  0.00  0.00    +0.249 C 
ATOM     26  O   LIG    1        1.311  -2.341  -1.889  0.00  0.00    -0.270 OA
ENDBRANCH   7  14
BRANCH   8  27
ATOM     27  C   LIG    1       -0.284   1.948   1.783  0.00  0.00    +0.049 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -0.116   3.311   1.121  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.156   4.391   2.124  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -0.366   5.493   2.156  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        1.137   4.085   2.995  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        1.209   4.890   3.551  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5