REMARK  Name = BDB008625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.811  -0.691   1.044  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        1.269  -1.803   0.456  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1       -0.070  -1.525   0.176  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -0.818  -2.542  -0.444  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.168  -3.735  -0.726  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1        1.167  -3.886  -0.394  0.00  0.00    +0.151 A 
ATOM      7  F   LIG    1       -0.836  -4.735  -1.314  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1       -0.338  -0.187   0.629  0.00  0.00    -0.000 A 
ATOM      9  N   LIG    1        1.938  -2.946   0.201  0.00  0.00    -0.234 NA
ATOM     10  C   LIG    1        0.857   0.288   1.156  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.669   0.536   0.562  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -1.694   1.888   1.285  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.112   0.690  -0.852  0.00  0.00    -0.291 N 
ATOM     14  C   LIG    1       -3.361   0.244  -1.325  0.00  0.00    +0.221 C 
ATOM     15  O   LIG    1       -3.737   0.421  -2.486  0.00  0.00    -0.275 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -4.306  -0.465  -0.353  0.00  0.00    +0.090 C 
ATOM     17  C   LIG    1       -5.006   0.546   0.553  0.00  0.00    +0.093 C 
ATOM     18  N   LIG    1       -6.346  -0.011   0.764  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1       -7.000   0.719   1.052  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -6.730  -0.529  -0.544  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -5.463  -1.208  -1.044  0.00  0.00    +0.029 C 
ENDBRANCH  14  16
BRANCH  13  22
ATOM     22  C   LIG    1       -1.183   1.433  -1.717  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -1.013   1.190  -3.191  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -1.629   2.476  -2.708  0.00  0.00    +0.024 C 
ENDBRANCH  13  22
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  25
ATOM     25  C   LIG    1        3.188  -0.576   1.499  0.00  0.00    +0.123 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.138  -0.210   0.358  0.00  0.00    +0.024 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.606  -0.168   0.785  0.00  0.00    +0.030 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.930   0.979   1.743  0.00  0.00    +0.159 C 
BRANCH  28  30
ATOM     29  C   LIG    1        8.200   1.446   1.184  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        7.294   0.948   2.162  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9