REMARK  Name = BDB009300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.883   0.982   0.892  0.00  0.00    +0.092 A 
ATOM      2  C   LIG    1       -1.877   0.117   0.223  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.684   0.687  -0.738  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -3.624  -0.116  -1.383  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -3.715  -1.461  -1.032  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -2.866  -1.946  -0.047  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -2.535   2.112  -1.040  0.00  0.00    +0.274 A 
ATOM      8  O   LIG    1       -3.235   2.655  -1.887  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -1.583   2.791  -0.316  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -1.459   3.779  -0.516  0.00  0.00    +0.192 HD
ATOM     11  N   LIG    1       -1.948  -1.188   0.596  0.00  0.00    -0.253 NA
ATOM     12  N   LIG    1       -0.759   2.253   0.629  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.043   0.362   1.921  0.00  0.00    +0.094 C 
BRANCH  13  19
ATOM     14  C   LIG    1        3.469   0.087   0.247  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1        3.544  -1.300   0.066  0.00  0.00    +0.144 A 
ATOM     16  F   LIG    1        4.618  -1.831  -0.542  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        2.541  -2.151   0.518  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        1.413  -1.615   1.137  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        1.284  -0.228   1.292  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        2.309   0.614   0.822  0.00  0.00    +0.029 A 
BRANCH  14  21
ATOM     21  N   LIG    1        4.423   0.944  -0.327  0.00  0.00    -0.356 N 
ATOM     22  H   LIG    1        4.511   1.840   0.141  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        5.317   0.482  -0.478  0.00  0.00    +0.142 HD
ENDBRANCH  14  21
ENDBRANCH  13  19
ENDBRANCH   1  13
TORSDOF 3