REMARK  Name = BDB056888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.196   5.383  -0.899  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.721   3.984  -1.093  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.976   2.941  -0.559  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.571   1.596  -0.679  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.543   0.547  -0.439  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.623  -0.863  -0.550  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.540  -1.435  -0.207  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.362  -0.412   0.110  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.741   0.798  -0.001  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.273   2.158   0.260  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.085   3.125   0.456  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.766   3.797  -1.717  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.767  -1.669  -0.965  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.423  -2.561  -0.071  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -3.542  -3.304  -0.520  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.178  -4.170   0.396  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1       -3.706  -4.269   1.694  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1       -2.651  -3.578   2.153  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1       -3.968  -3.139  -1.862  0.00  0.00    +0.049 A 
ATOM     20 CL   LIG    1       -5.325  -4.004  -2.509  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -3.312  -2.265  -2.731  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -2.037  -2.756   1.268  0.00  0.00    +0.119 A 
ATOM     23  C   LIG    1       -2.217  -1.533  -2.286  0.00  0.00    +0.012 A 
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  C   LIG    1        2.722  -0.729   0.530  0.00  0.00    +0.112 C 
ATOM     25  C   LIG    1        2.938  -0.499   2.032  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        4.385  -0.135   2.336  0.00  0.00    +0.162 C 
ATOM     27  O   LIG    1        5.256  -0.878   1.493  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1        5.182  -0.495   0.119  0.00  0.00    +0.162 C 
ATOM     29  C   LIG    1        3.792  -0.032  -0.309  0.00  0.00    +0.055 C 
ENDBRANCH   8  24
TORSDOF 2