REMARK  Name = BDB064434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.444  -1.547  -0.936  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1        0.309  -1.957  -0.295  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1       -0.699  -1.802  -1.230  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1       -2.009  -2.095  -0.808  0.00  0.00    +0.151 A 
ATOM      5  N   LIG    1       -2.181  -2.534   0.466  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -1.099  -2.662   1.267  0.00  0.00    +0.195 A 
ATOM      7  I   LIG    1       -1.475  -3.316   3.228  0.00  0.00    +0.001 I 
ATOM      8  N   LIG    1       -0.194  -1.338  -2.428  0.00  0.00    -0.231 NA
ATOM      9  N   LIG    1        0.188  -2.387   0.970  0.00  0.00    -0.203 NA
ATOM     10  C   LIG    1        1.098  -1.197  -2.214  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   4  11
ATOM     11  N   LIG    1       -3.108  -1.915  -1.661  0.00  0.00    -0.323 N 
ATOM     12  H   LIG    1       -2.786  -1.417  -2.492  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -4.264  -1.287  -1.036  0.00  0.00    +0.138 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.029   0.193  -0.823  0.00  0.00    -0.029 A 
ATOM     15  C   LIG    1       -3.522   0.661   0.400  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1       -3.234   2.015   0.570  0.00  0.00    +0.014 A 
ATOM     17  I   LIG    1       -2.429   2.675   2.369  0.00  0.00    -0.044 I 
ATOM     18  C   LIG    1       -3.465   2.921  -0.463  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1       -3.976   2.466  -1.679  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -4.250   1.109  -1.862  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   4  11
BRANCH   1  21
ATOM     21  C   LIG    1        2.773  -1.487  -0.365  0.00  0.00    +0.131 C 
BRANCH  21  26
ATOM     22  C   LIG    1        2.312   0.481   1.229  0.00  0.00    +0.148 C 
ATOM     23  C   LIG    1        3.264   1.335   2.094  0.00  0.00    +0.143 C 
ATOM     24  C   LIG    1        4.618   1.287   1.392  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1        4.595  -0.040   0.651  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1        3.176  -0.082   0.088  0.00  0.00    +0.040 C 
BRANCH  22  27
ATOM     27  O   LIG    1        1.270   1.281   0.678  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1        0.709   1.560   1.428  0.00  0.00    +0.210 HD
ENDBRANCH  22  27
BRANCH  23  29
ATOM     29  O   LIG    1        2.808   2.673   2.228  0.00  0.00    -0.389 OA
ATOM     30  H   LIG    1        2.447   2.925   1.355  0.00  0.00    +0.210 HD
ENDBRANCH  23  29
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 7