REMARK  Name = BDB042790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.303   1.698   2.803  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.454   1.313   2.009  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        2.780   0.333   0.964  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.766  -0.093   0.112  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        2.011  -1.034  -0.895  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        1.010  -1.501  -1.760  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1        1.160  -1.171  -2.714  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -0.360  -1.290  -1.285  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1       -0.606   0.144  -0.804  0.00  0.00    +0.088 C 
ATOM     10  C   LIG    1        3.320  -1.495  -1.062  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.333  -1.061  -0.208  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        5.577  -1.529  -0.375  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        0.435   0.521   0.249  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        0.167   1.412   1.159  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        4.077  -0.156   0.813  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1        1.153   1.758   2.034  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        0.913   2.456   2.732  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -2.060   0.291  -0.362  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1       -3.045   0.847  -1.199  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1       -2.689   1.412  -2.794  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -4.376   0.938  -0.777  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.751   0.467   0.479  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.796  -0.102   1.315  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.467  -0.196   0.897  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
TORSDOF 1