REMARK  Name = BDB016417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.965   0.080   0.868  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        2.101  -1.043   0.949  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.782  -0.940   0.465  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        0.354   0.251  -0.102  0.00  0.00    +0.038 A 
ATOM      5  N   LIG    1       -0.945   0.536  -0.608  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1       -0.723   1.783  -1.388  0.00  0.00    +0.116 C 
ATOM      7  C   LIG    1        0.490   2.502  -0.769  0.00  0.00    +0.056 C 
ATOM      8  C   LIG    1        1.214   1.346  -0.173  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1        2.511   1.284   0.305  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -1.794  -0.391  -1.284  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -3.197  -0.372  -1.000  0.00  0.00    +0.070 A 
ATOM     12  N   LIG    1       -3.603   0.480   0.046  0.00  0.00    -0.338 N 
ATOM     13  H   LIG    1       -2.831   1.105   0.283  0.00  0.00    +0.146 HD
ATOM     14  C   LIG    1       -4.916   1.089  -0.027  0.00  0.00    +0.076 C 
ATOM     15  C   LIG    1       -5.934   0.063   0.422  0.00  0.00    +0.118 C 
ATOM     16  C   LIG    1       -6.341  -0.835  -0.704  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -5.440  -1.385  -1.555  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -5.902  -2.023  -2.191  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -7.530  -1.143  -0.849  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -4.936   2.299   0.910  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -4.044  -1.250  -1.705  0.00  0.00    +0.056 A 
ATOM     22  C   LIG    1       -3.487  -2.100  -2.682  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -2.119  -2.114  -2.949  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -1.274  -1.264  -2.250  0.00  0.00    +0.025 A 
ENDBRANCH   5  10
BRANCH   2  25
ATOM     25  C   LIG    1        2.562  -2.342   1.567  0.00  0.00    +0.372 C 
ATOM     26  F   LIG    1        2.828  -2.211   2.898  0.00  0.00    -0.204 F 
ATOM     27  F   LIG    1        1.637  -3.342   1.479  0.00  0.00    -0.204 F 
ENDBRANCH   2  25
BRANCH   1  29
ATOM     28  C   LIG    1        5.342  -0.269   0.495  0.00  0.00    +0.077 C 
ATOM     29  C   LIG    1        4.354   0.026   1.358  0.00  0.00    +0.013 C 
BRANCH  28  31
ATOM     30  C   LIG    1        7.740  -0.238  -0.198  0.00  0.00    +0.125 C 
ATOM     31  N   LIG    1        6.683  -0.419   0.769  0.00  0.00    -0.352 N 
ATOM     32  H   LIG    1        6.906  -0.097   1.725  0.00  0.00    +0.145 HD
ENDBRANCH  28  31
BRANCH  29  33
ATOM     33  C   LIG    1        4.633   0.267   2.805  0.00  0.00    +0.111 C 
ATOM     34  N   LIG    1        5.805   0.456   3.322  0.00  0.00    -0.307 NA
ATOM     35  H   LIG    1        5.705   0.595   4.335  0.00  0.00    +0.186 HD
ENDBRANCH  29  33
ENDBRANCH   1  29
TORSDOF 5