REMARK  Name = BDB064068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.800   1.414   1.208  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        0.445   1.222   1.143  0.00  0.00    -0.184 N 
ATOM      3  C   LIG    1       -0.082   2.116   2.013  0.00  0.00    +0.219 A 
ATOM      4  S   LIG    1       -1.784   1.989   2.040  0.00  0.00    -0.026 S 
ATOM      5  C   LIG    1       -1.589   0.693   0.828  0.00  0.00    +0.133 A 
ATOM      6  N   LIG    1        0.833   2.838   2.593  0.00  0.00    -0.120 NA
ATOM      7  N   LIG    1       -0.378   0.393   0.440  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1        2.046   2.388   2.076  0.00  0.00    -0.125 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        4.592  -1.594  -1.738  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1        4.078  -0.580  -0.787  0.00  0.00    +0.060 A 
ATOM     11  N   LIG    1        4.926   0.232  -0.144  0.00  0.00    -0.179 NA
ATOM     12  N   LIG    1        4.125   0.998   0.618  0.00  0.00    -0.274 N 
ATOM     13  H   LIG    1        4.543   1.705   1.214  0.00  0.00    +0.189 HD
ATOM     14  C   LIG    1        2.796   0.709   0.483  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1        2.734  -0.321  -0.429  0.00  0.00    +0.055 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  C   LIG    1       -2.800   0.031   0.328  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -3.000  -1.346   0.480  0.00  0.00    +0.028 A 
ATOM     18 BR   LIG    1       -1.788  -2.467   1.417  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -4.158  -1.938  -0.036  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -5.108  -1.161  -0.702  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.908   0.210  -0.855  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.756   0.809  -0.343  0.00  0.00    +0.012 A 
ENDBRANCH   5  16
TORSDOF 2