REMARK  Name = BDB055770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.748  -1.416   0.031  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.552  -1.507   0.584  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        1.006  -2.714   1.119  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.179  -3.849   1.120  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -1.107  -3.758   0.568  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -1.566  -2.553   0.032  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.763   2.611  -1.959  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -3.384   1.202  -2.012  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -3.585   0.526  -0.712  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -2.333   0.425   0.190  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.169  -0.175  -0.509  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -1.302  -0.228  -1.987  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -1.990   1.057  -2.493  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  N   LIG    1        1.311  -0.318   0.557  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        0.798   0.449   0.125  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        2.589  -0.105   1.015  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1        3.318  -0.936   1.546  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.088   1.295   0.914  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        2.889   2.138  -0.187  0.00  0.00    +0.053 A 
ATOM     20 CL   LIG    1        2.073   1.649  -1.629  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        3.398   3.444  -0.167  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        4.111   3.911   0.938  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.328   3.073   2.028  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.823   1.772   2.014  0.00  0.00    +0.014 A 
ENDBRANCH  16  18
ENDBRANCH   2  14
BRANCH   4  25
ATOM     25  C   LIG    1        0.691  -5.150   1.687  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1        1.593  -5.758   0.868  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        1.313  -5.000   2.889  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -0.295  -6.069   1.897  0.00  0.00    -0.166 F 
ENDBRANCH   4  25
TORSDOF 4