REMARK  Name = BDB025472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.298   0.153   0.647  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -1.843  -0.085   0.860  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1       -1.194  -0.440  -0.428  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -1.840  -0.842  -1.574  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -0.819  -1.071  -2.501  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1        0.386  -0.848  -1.987  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1       -3.318  -0.938  -1.629  0.00  0.00    +0.056 C 
ATOM      8  N   LIG    1        0.159  -0.484  -0.690  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1        1.230  -0.232   0.192  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        0.984   0.027   1.367  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.906  -0.911  -0.192  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.615  -0.350  -0.429  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.652   0.549   0.242  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        4.947   0.064   0.517  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        5.868   0.899   1.168  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        5.550   2.225   1.463  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.299   2.714   1.124  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        3.994   3.990   1.391  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1        5.303  -1.271   0.277  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1        6.304  -1.385   0.139  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        4.498  -1.972  -0.711  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        3.353   1.896   0.518  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        3.029  -1.827  -0.364  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   5  24
ATOM     24  N   LIG    1       -1.018  -1.462  -3.765  0.00  0.00    -0.341 N 
ATOM     25  H   LIG    1       -0.229  -1.355  -4.393  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -1.906  -1.269  -4.213  0.00  0.00    +0.144 HD
ENDBRANCH   5  24
BRANCH   1  27
ATOM     27  C   LIG    1       -3.965   0.289   1.952  0.00  0.00    +0.084 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -5.460   2.216   1.198  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -5.390   0.858   1.881  0.00  0.00    +0.012 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 4