REMARK  Name = BDB042547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.706   0.263   0.974  0.00  0.00    -0.038 C 
ATOM      2  C   LIG    1       -3.418  -0.857   1.940  0.00  0.00    +0.054 C 
ATOM      3  C   LIG    1       -2.002  -0.760   2.509  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1       -1.014  -0.485   1.465  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        0.239  -1.084   1.582  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.491  -1.923   2.447  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.244   0.707   0.652  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1       -2.703   0.967   0.418  0.00  0.00    -0.004 C 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -6.913   0.856  -0.944  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1       -5.576   0.555  -0.647  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -5.112   0.588   0.678  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -6.017   0.929   1.692  0.00  0.00    +0.131 A 
ATOM     13  F   LIG    1       -5.614   0.994   2.970  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -7.348   1.230   1.405  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -7.798   1.193   0.086  0.00  0.00    +0.022 A 
BRANCH   9  17
ATOM     16  N   LIG    1       -7.742   0.790  -3.402  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1       -7.372   0.818  -2.302  0.00  0.00    +0.099 C 
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   5  18
ATOM     18  C   LIG    1        1.293  -0.666   0.569  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.619  -1.395   0.800  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.679  -0.950  -0.177  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        3.556  -1.386  -1.477  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        2.787  -1.992  -1.740  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        4.430  -1.086  -2.499  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1        4.260  -1.502  -3.639  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        5.586  -0.228  -2.144  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        5.718   0.212  -0.817  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1        6.807   1.020  -0.470  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        7.745   1.379  -1.442  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        7.593   0.932  -2.752  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        8.499   1.283  -3.673  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        6.522   0.129  -3.117  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1        4.719  -0.179   0.180  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5