REMARK  Name = BDB035335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.566  -2.799  -3.100  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.270  -2.190  -2.903  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -0.956  -1.138  -2.068  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.411  -0.957  -2.223  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.809  -1.936  -3.155  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.214  -2.675  -3.583  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.203   0.024  -1.516  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.096  -0.397  -0.517  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        2.855   0.529   0.217  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1        2.710   1.892  -0.105  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        3.511   2.905   0.627  0.00  0.00    +0.256 A 
ATOM     12  N   LIG    1        4.358   2.418   1.591  0.00  0.00    -0.328 N 
ATOM     13  H   LIG    1        4.908   3.114   2.082  0.00  0.00    +0.168 HD
ATOM     14  C   LIG    1        4.486   1.096   1.918  0.00  0.00    +0.091 A 
ATOM     15  O   LIG    1        3.422   4.103   0.385  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        1.828   2.318  -1.107  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.785   0.124   1.307  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1        1.071   1.383  -1.809  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        3.891  -1.340   1.674  0.00  0.00    +0.115 C 
BRANCH  19  20
ATOM     20  N   LIG    1        4.719  -1.622   2.847  0.00  0.00    -0.326 NA
ATOM     21  H   LIG    1        4.812  -2.633   2.939  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        4.209  -1.323   3.678  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -1.925  -0.432  -1.222  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.975  -0.600   0.177  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -2.919   0.121   0.966  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.816   1.020   0.326  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.747   1.728   1.124  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -4.807   1.569   2.508  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.935   0.695   3.134  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.739   1.169  -1.079  0.00  0.00    +0.049 A 
ATOM     31 CL   LIG    1       -4.785   2.239  -1.956  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1       -3.006  -0.017   2.376  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -2.808   0.456  -1.837  0.00  0.00    +0.032 A 
BRANCH  24  34
ATOM     34  C   LIG    1       -1.065  -1.521   0.810  0.00  0.00    +0.100 C 
ATOM     35  N   LIG    1       -0.340  -2.259   1.338  0.00  0.00    -0.191 NA
ENDBRANCH  24  34
ENDBRANCH   3  23
TORSDOF 5