REMARK  Name = BDB054658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.101   0.836   0.356  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -0.948  -0.268   0.049  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -2.203   0.136  -0.190  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -2.213   1.469   0.051  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.961   1.919   0.383  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.622  -1.692  -0.026  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.050  -2.452  -1.124  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -0.725  -3.808  -1.216  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        0.023  -4.410  -0.206  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1        0.430  -6.077  -0.323  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        0.441  -3.671   0.898  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        0.114  -2.314   0.992  0.00  0.00    +0.011 A 
ENDBRANCH   2   6
BRANCH   4  13
ATOM     13  C   LIG    1       -3.415   2.223  -0.064  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -3.433   3.604   0.176  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.629   4.319   0.055  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -5.806   3.666  -0.304  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.795   2.293  -0.543  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.606   1.572  -0.424  0.00  0.00    +0.028 A 
ENDBRANCH   4  13
BRANCH   1  20
ATOM     19  O   LIG    1        1.761   1.812   1.358  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        1.331   0.928   0.626  0.00  0.00    +0.252 C 
ATOM     21  N   LIG    1        2.093  -0.012  -0.040  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        1.609  -0.607  -0.699  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.483  -0.226   0.057  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        4.331   0.494   0.899  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        5.700   0.208   0.938  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.231  -0.802   0.138  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.393  -1.528  -0.702  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.026  -1.242  -0.742  0.00  0.00    +0.023 A 
ENDBRANCH  21  23
ENDBRANCH   1  20
TORSDOF 4