REMARK  Name = BDB041945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.099  -0.811   0.056  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -3.116   0.108  -0.194  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -3.205   1.313  -0.327  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.856  -0.630  -0.246  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.139  -1.957   0.019  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -1.157  -2.921   0.040  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        0.143  -2.486  -0.217  0.00  0.00    +0.145 A 
ATOM      8  C   LIG    1        0.470  -1.120  -0.465  0.00  0.00    +0.064 A 
ATOM      9  F   LIG    1        1.131  -3.396  -0.210  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -0.571  -0.182  -0.500  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -3.578  -2.064   0.239  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1       -4.152  -3.097   0.526  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     13  O   LIG    1       -8.644   1.930   1.459  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -7.709   1.216   1.109  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -6.739   0.832   2.001  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.814   1.225   2.930  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -5.591   0.116   1.743  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1       -4.749  -0.052   2.624  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -5.490  -0.490   0.339  0.00  0.00    +0.171 C 
ATOM     20  C   LIG    1       -6.141   0.438  -0.682  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -7.595   0.666  -0.294  0.00  0.00    +0.098 C 
ENDBRANCH   1  19
BRANCH   8  22
ATOM     22  N   LIG    1        1.800  -0.797  -0.786  0.00  0.00    -0.342 N 
ATOM     23  H   LIG    1        2.431  -1.531  -0.463  0.00  0.00    +0.146 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.285   0.557  -0.540  0.00  0.00    +0.101 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.789   0.652  -0.821  0.00  0.00    +0.019 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.638   0.005   0.279  0.00  0.00    +0.002 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.140   0.019  -0.026  0.00  0.00    +0.002 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.746   1.426  -0.051  0.00  0.00    +0.028 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.255   1.396  -0.272  0.00  0.00    +0.156 C 
BRANCH  29  30
ATOM     30  O   LIG    1        8.912   0.741   0.805  0.00  0.00    -0.395 OA
ATOM     31  H   LIG    1        8.711   1.238   1.616  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 9