REMARK  Name = BDB042502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.485   0.709   2.669  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -3.875  -2.053  -1.213  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -4.408  -0.646  -1.193  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.961   0.317  -0.263  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -4.501   1.619  -0.309  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -4.028   2.638   0.660  0.00  0.00    +0.257 A 
ATOM      7  N   LIG    1       -3.067   2.231   1.557  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -2.762   2.942   2.211  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -2.530   0.968   1.612  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -4.468   3.782   0.663  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -5.470   1.970  -1.252  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -5.900   1.014  -2.156  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1       -6.828   1.335  -3.066  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -2.945   0.019   0.757  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -5.383  -0.279  -2.136  0.00  0.00    +0.042 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.121   1.340   2.358  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.528   0.853   1.051  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.658  -0.611   0.974  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        0.849  -1.064  -0.417  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        2.185  -0.631  -1.047  0.00  0.00    +0.052 C 
ATOM     21  C   LIG    1        3.350  -0.767  -0.092  0.00  0.00    -0.024 C 
ATOM     22  C   LIG    1        3.124  -1.028   1.211  0.00  0.00    -0.006 C 
ATOM     23  C   LIG    1        1.748  -1.140   1.808  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.706  -0.644  -0.666  0.00  0.00    +0.067 A 
ATOM     25  N   LIG    1        4.847  -1.063  -1.948  0.00  0.00    -0.252 NA
ATOM     26  C   LIG    1        6.077  -0.961  -2.509  0.00  0.00    +0.149 A 
ATOM     27  C   LIG    1        7.178  -0.451  -1.849  0.00  0.00    +0.141 A 
ATOM     28  F   LIG    1        8.367  -0.374  -2.458  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1        7.029  -0.013  -0.545  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        5.775  -0.108   0.058  0.00  0.00    +0.031 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5