REMARK  Name = BDB006735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.483  -1.068  -0.262  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.503  -0.025  -0.729  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.712  -0.842  -0.929  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -3.037  -0.825  -1.352  0.00  0.00    +0.072 A 
ATOM      5  N   LIG    1       -3.584  -2.053  -1.311  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -2.588  -2.846  -0.835  0.00  0.00    -0.262 N 
ATOM      7  C   LIG    1       -2.804  -4.259  -0.656  0.00  0.00    +0.173 C 
ATOM      8  C   LIG    1       -1.462  -2.143  -0.618  0.00  0.00    +0.129 A 
ATOM      9  C   LIG    1       -0.127  -2.358  -0.191  0.00  0.00    +0.270 C 
ATOM     10  O   LIG    1        0.339  -3.434   0.137  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        4.939  -2.686   1.272  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        4.064  -1.571   0.760  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.564  -0.250   0.541  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        3.684   0.711   0.084  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        4.433   1.863  -0.018  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        5.675   1.609   0.342  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.900   3.170  -0.462  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1        2.342   0.464  -0.190  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1        1.823  -0.769  -0.004  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1        5.757   0.282   0.693  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1        2.752  -1.796   0.496  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1       -0.861   1.029   0.301  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -0.983   0.736   1.672  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -1.312   1.736   2.591  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.525   3.039   2.151  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -1.931   4.269   3.281  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -1.412   3.352   0.799  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.083   2.353  -0.121  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   4  29
ATOM     29  C   LIG    1       -3.803   0.429  -1.844  0.00  0.00    +0.040 C 
ATOM     30  C   LIG    1       -5.297   0.508  -1.655  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -4.394   1.370  -0.825  0.00  0.00    +0.010 C 
ENDBRANCH   4  29
TORSDOF 3