REMARK  Name = BDB034902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.895   1.099   0.497  0.00  0.00    -0.152 NA
ATOM      2  C   LIG    1        0.987   0.943  -0.413  0.00  0.00    +0.171 A 
ATOM      3  N   LIG    1       -0.399   0.999  -0.246  0.00  0.00    -0.291 N 
ATOM      4  C   LIG    1       -1.150   0.844  -1.426  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -0.394   0.638  -2.521  0.00  0.00    +0.071 A 
ATOM      6  S   LIG    1        1.308   0.617  -2.153  0.00  0.00    -0.060 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.967   1.289   1.021  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -1.082   0.315   2.029  0.00  0.00    +0.065 A 
ATOM      9 CL   LIG    1       -0.579  -1.321   1.772  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -1.640   0.638   3.270  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -2.084   1.936   3.522  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.973   2.913   2.535  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.419   2.592   1.294  0.00  0.00    +0.028 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  O   LIG    1        3.739   1.998  -0.519  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        3.204   1.088   0.103  0.00  0.00    +0.272 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.926  -0.104   0.545  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        5.286  -0.449   0.243  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        5.552  -1.665   0.863  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        6.701  -2.365   0.846  0.00  0.00    -0.237 NA
ATOM     20  C   LIG    1        7.673  -1.761   0.125  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1        7.551  -0.551  -0.546  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        4.423  -2.060   1.521  0.00  0.00    -0.345 N 
ATOM     23  H   LIG    1        4.358  -2.914   2.056  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        6.335   0.130  -0.494  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        3.433  -1.131   1.342  0.00  0.00    +0.098 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   4  26
ATOM     26  C   LIG    1       -2.659   0.909  -1.467  0.00  0.00    +0.139 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.322  -0.094  -0.626  0.00  0.00    -0.292 NA
ATOM     28  C   LIG    1       -4.735   0.268  -0.390  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1       -5.572  -0.951   0.019  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1       -5.647  -1.935  -1.021  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1       -4.480  -1.966  -1.854  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1       -3.209  -1.473  -1.143  0.00  0.00    +0.113 C 
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 5