REMARK  Name = BDB040812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.417   0.380  -0.085  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -3.857  -0.525  -0.988  0.00  0.00    +0.132 A 
ATOM      3  F   LIG    1       -4.501  -1.667  -1.270  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.643  -0.269  -1.626  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -1.942   0.914  -1.375  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.503   1.833  -0.481  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.716   1.561   0.150  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -4.220   2.478   0.990  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1       -9.185  -2.061   1.342  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -8.166  -1.434   1.064  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1       -6.932  -1.867   1.475  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -6.920  -2.724   2.012  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -5.729  -1.207   1.382  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -4.741  -1.647   1.967  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -5.734   0.109   0.607  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1       -6.896   0.146  -0.393  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -8.206  -0.116   0.332  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  N   LIG    1       -0.726   1.190  -2.034  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1        0.327   2.067  -1.577  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1        1.216   1.395  -2.639  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        0.218   0.226  -2.542  0.00  0.00    +0.129 C 
BRANCH  20  22
ATOM     22  N   LIG    1        2.575   1.111  -2.277  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1        3.226   1.106  -3.054  0.00  0.00    +0.151 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.004   0.503  -1.159  0.00  0.00    +0.308 A 
ATOM     25  O   LIG    1        4.326   0.152  -1.153  0.00  0.00    -0.409 OA
ATOM     26  C   LIG    1        4.454  -0.429   0.079  0.00  0.00    +0.219 A 
ATOM     27  N   LIG    1        3.329  -0.441   0.760  0.00  0.00    -0.111 NA
ATOM     28  N   LIG    1        2.390   0.166  -0.048  0.00  0.00    -0.093 NA
BRANCH  26  29
ATOM     29  C   LIG    1        5.790  -0.939   0.457  0.00  0.00    +0.098 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.621   0.145   1.140  0.00  0.00    +0.013 C 
BRANCH  30  31
ATOM     31  C   LIG    1        7.985  -0.362   1.509  0.00  0.00    -0.010 C 
ATOM     32  C   LIG    1        8.198  -1.106   2.801  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        8.747   0.285   2.636  0.00  0.00    +0.004 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   5  18
TORSDOF 7