REMARK  Name = BDB048377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.754   1.675   0.496  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        4.249   1.736   0.458  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        3.569   0.568   0.137  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        2.102   0.697   0.019  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1        1.450  -0.638   0.019  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.149  -1.822  -0.038  0.00  0.00    +0.044 A 
ATOM      7  N   LIG    1        1.228  -2.815  -0.025  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1        1.371  -3.820  -0.045  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -0.031  -2.355   0.014  0.00  0.00    -0.158 NA
ATOM     10  C   LIG    1        3.619  -1.948  -0.079  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.081  -1.020   0.054  0.00  0.00    +0.150 A 
ATOM     12  C   LIG    1        4.211  -0.593  -0.525  0.00  0.00    +0.114 C 
ATOM     13  O   LIG    1        3.666   2.790   0.713  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1       -0.917  -0.103   0.108  0.00  0.00    -0.298 N 
ATOM     15  H   LIG    1       -0.647   0.872   0.162  0.00  0.00    +0.154 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -2.322  -0.244   0.176  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -3.116   0.917   0.167  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -4.515   0.858   0.208  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -5.144  -0.382   0.282  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -4.377  -1.546   0.286  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -2.981  -1.474   0.226  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  O   LIG    1       -5.141   2.074   0.192  0.00  0.00    -0.434 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -6.515   2.066  -0.152  0.00  0.00    +0.541 C 
ATOM     24  F   LIG    1       -7.238   1.619   0.904  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -6.888   3.355  -0.358  0.00  0.00    -0.166 F 
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH  14  16
ENDBRANCH  11  14
TORSDOF 4