REMARK  Name = BDB014942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.647   4.409   0.995  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.202   4.066   0.741  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.908   2.759   0.375  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.497   2.489   0.043  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.227   1.026   0.013  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.011   0.312  -0.140  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.240  -1.005  -0.124  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.570  -1.143   0.046  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.205   0.060   0.122  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.648   0.353   0.313  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.920   1.806  -0.131  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.331   4.928   0.871  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.109  -2.488   0.112  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -4.134  -2.789  -0.975  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -5.364  -3.116  -0.307  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -5.005  -3.632   0.978  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -3.812  -2.816   1.420  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.179   0.940  -0.284  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.194   1.956  -0.257  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.494   0.445  -0.451  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.545   1.369  -0.578  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.264   2.683  -0.536  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.871   0.977  -0.750  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        4.186  -0.381  -0.795  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        3.156  -1.321  -0.681  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        1.825  -0.910  -0.508  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.553  -0.822  -0.985  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        6.645  -0.431  -0.227  0.00  0.00    +0.044 A 
ATOM     29  C   LIG    1        6.768   0.475   0.945  0.00  0.00    +0.066 C 
ATOM     30  N   LIG    1        7.721  -1.091  -0.774  0.00  0.00    -0.271 N 
ATOM     31  C   LIG    1        9.104  -1.008  -0.362  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        7.393  -1.908  -1.792  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.077  -1.742  -1.919  0.00  0.00    +0.143 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4