REMARK  Name = BDB042599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.112  -1.519  -1.258  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1       -1.163  -1.113  -0.905  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -1.958  -1.958  -0.009  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1       -2.851  -1.143   0.944  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1       -3.721  -0.196   0.215  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1       -3.312   0.171  -1.151  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1       -1.779   0.155  -1.309  0.00  0.00    +0.126 C 
ATOM      8  O   LIG    1        0.571  -2.607  -0.907  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.931   0.214   0.755  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -5.981   0.694  -0.048  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -7.206   1.115   0.498  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1       -7.409   1.066   1.873  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -6.385   0.598   2.679  0.00  0.00    +0.126 A 
ATOM     14  F   LIG    1       -6.563   0.551   4.005  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -5.169   0.179   2.137  0.00  0.00    +0.061 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -8.246   1.593  -0.365  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1       -9.082   1.980  -1.070  0.00  0.00    -0.191 NA
ENDBRANCH  11  16
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.926  -0.558  -2.114  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.386  -0.992  -2.284  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1        6.290   2.337  -0.785  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        5.965   1.394   0.341  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        4.968   0.400   0.232  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1        4.722  -0.448   1.331  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        3.677  -1.497   1.225  0.00  0.00    +0.257 A 
ATOM     25  N   LIG    1        3.010  -1.571   0.025  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        2.294  -2.298  -0.038  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        3.228  -0.746  -1.053  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1        3.425  -2.247   2.161  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        5.443  -0.323   2.522  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        6.416   0.657   2.613  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1        7.115   0.791   3.748  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        4.169   0.210  -0.990  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        6.682   1.509   1.545  0.00  0.00    +0.042 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5