REMARK  Name = BDB001745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.522   1.052  -0.632  0.00  0.00    +0.285 C 
ATOM      2  N   LIG    1       -0.125   1.176  -0.647  0.00  0.00    -0.162 N 
ATOM      3  C   LIG    1        0.653   2.266  -1.013  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        1.918   1.939  -0.945  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1        1.906   0.640  -0.496  0.00  0.00    +0.184 A 
ATOM      6  N   LIG    1        0.679   0.132  -0.308  0.00  0.00    -0.141 NA
ATOM      7  O   LIG    1       -2.198   2.003  -1.030  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        3.138  -0.110  -0.261  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        3.101  -1.431   0.213  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        4.285  -2.142   0.434  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        5.514  -1.536   0.183  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        6.970  -2.411   0.454  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        5.570  -0.226  -0.286  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        4.385   0.484  -0.507  0.00  0.00    +0.013 A 
ENDBRANCH   5   8
BRANCH   1  16
ATOM     15  C   LIG    1       -3.059  -0.144   0.913  0.00  0.00    +0.132 A 
ATOM     16  C   LIG    1       -2.214  -0.177  -0.199  0.00  0.00    +0.083 A 
ATOM     17  C   LIG    1       -2.052  -1.361  -0.928  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1       -2.725  -2.517  -0.527  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.552  -2.490   0.597  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.714  -1.308   1.323  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.457   1.592   1.496  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -3.167   0.999   1.659  0.00  0.00    -0.494 OA
ENDBRANCH  15  22
ENDBRANCH   1  16
BRANCH   3  23
ATOM     23  N   LIG    1        0.156   3.463  -1.378  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1       -0.837   3.550  -1.599  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        0.765   4.106  -1.871  0.00  0.00    +0.145 HD
ENDBRANCH   3  23
TORSDOF 4