REMARK  Name = BDB048178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.083   3.453   0.447  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.084   2.718   0.197  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.046   1.322   0.200  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.167   0.631   0.456  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.323   1.379   0.701  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -2.283   2.777   0.698  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.151  -0.779   0.430  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -1.579  -1.465   1.668  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -3.063  -1.899   1.671  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -3.545  -2.566   0.444  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -3.033  -3.931   0.339  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.171  -1.751  -0.732  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.678  -1.365  -0.823  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   3  14
ATOM     14  N   LIG    1        1.173   0.502  -0.029  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        0.938  -0.487   0.024  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        2.466   0.876  -0.303  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1        2.903   2.017  -0.386  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.434  -0.245  -0.432  0.00  0.00    +0.056 A 
ATOM     19  C   LIG    1        3.234  -1.371  -1.252  0.00  0.00    +0.059 A 
ATOM     20 CL   LIG    1        1.825  -1.509  -2.257  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        4.205  -2.392  -1.298  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.045  -3.616  -2.157  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        5.367  -2.244  -0.528  0.00  0.00    +0.128 A 
ATOM     24  F   LIG    1        6.311  -3.195  -0.553  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        5.581  -1.125   0.267  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        4.617  -0.122   0.313  0.00  0.00    +0.017 A 
ENDBRANCH  16  18
ENDBRANCH   3  14
BRANCH   1  27
ATOM     27  C   LIG    1       -0.998   4.940   0.436  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1        0.034   5.564   0.248  0.00  0.00    -0.245 OA
BRANCH  27  30
ATOM     29  C   LIG    1       -2.221   6.916   0.664  0.00  0.00    +0.280 C 
ATOM     30  O   LIG    1       -2.220   5.488   0.662  0.00  0.00    -0.464 OA
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 5