REMARK  Name = BDB023673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.067  -0.823  -0.378  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.937  -1.487   0.054  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.165  -1.778  -0.860  0.00  0.00    +0.140 C 
ATOM      4  C   LIG    1        0.818  -3.018  -0.245  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1        0.632  -2.803   1.259  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.736  -2.116   1.352  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.268  -0.597  -1.573  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.067  -0.524  -0.883  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        2.381  -0.542  -0.460  0.00  0.00    -0.316 N 
ATOM     10  H   LIG    1        2.533  -1.093   0.389  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        2.856   0.847  -0.411  0.00  0.00    +0.134 C 
ATOM     12  C   LIG    1        3.022   1.280   1.048  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        1.622   1.565  -1.029  0.00  0.00    +0.265 C 
ATOM     14  O   LIG    1        1.517   2.773  -1.206  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        0.615   0.643  -1.260  0.00  0.00    -0.166 NA
BRANCH  11  16
ATOM     16  C   LIG    1        4.133   1.041  -1.223  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        4.849  -0.044  -1.764  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        6.027   0.155  -2.493  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        6.507   1.446  -2.691  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1        8.101   1.714  -3.671  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        5.822   2.537  -2.167  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        4.646   2.335  -1.439  0.00  0.00    +0.007 A 
ENDBRANCH  11  16
ENDBRANCH   3   8
BRANCH   5  23
ATOM     23  O   LIG    1        1.687  -1.964   1.745  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        1.378  -1.575   2.586  0.00  0.00    +0.210 HD
ENDBRANCH   5  23
BRANCH   1  25
ATOM     25  C   LIG    1       -2.996  -0.225   0.707  0.00  0.00    +0.164 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -1.289   3.134   1.049  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -1.679   1.735   1.439  0.00  0.00    +0.211 C 
ATOM     28  N   LIG    1       -2.695   1.210   0.666  0.00  0.00    -0.304 N 
ATOM     29  H   LIG    1       -2.793   1.629  -0.254  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1       -1.160   1.146   2.384  0.00  0.00    -0.276 OA
ENDBRANCH  25  28
BRANCH  25  31
ATOM     31  C   LIG    1       -4.510  -0.533   0.498  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -5.272  -0.115   1.774  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -5.141   0.211  -0.692  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -4.716  -2.047   0.300  0.00  0.00    +0.013 C 
ENDBRANCH  25  31
ENDBRANCH   1  25
TORSDOF 6