REMARK  Name = BDB006626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.938  -0.365  -0.976  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.595  -0.425  -0.580  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.237   0.082  -0.863  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.574  -0.679   0.149  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.257  -1.524   0.951  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1        0.048  -2.276   1.861  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -1.560  -1.321   0.443  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -2.815  -1.748   0.652  0.00  0.00    -0.256 N 
ATOM      9  N   LIG    1       -3.690  -1.192  -0.220  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        1.966  -0.594   0.239  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        2.689  -1.220   1.187  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1        4.070  -1.122   1.272  0.00  0.00    -0.316 N 
ATOM     13  C   LIG    1        4.744  -1.839   2.344  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1        4.824  -0.362   0.385  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1        6.046  -0.245   0.434  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        4.048   0.338  -0.684  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        4.835   1.154  -1.658  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1        2.711   0.205  -0.726  0.00  0.00    +0.033 A 
ENDBRANCH   4  10
BRANCH   3  19
ATOM     19  C   LIG    1       -0.301   1.583  -0.651  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -0.354   2.433  -1.771  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -0.415   3.821  -1.615  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.425   4.374  -0.337  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -0.501   6.081  -0.146  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.376   3.552   0.785  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.315   2.165   0.630  0.00  0.00    +0.007 A 
ENDBRANCH   3  19
BRANCH   8  26
ATOM     26  C   LIG    1       -3.219  -2.733   1.671  0.00  0.00    +0.108 C 
ATOM     27  C   LIG    1       -3.142  -2.433   3.150  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1       -4.480  -2.576   2.488  0.00  0.00    +0.029 C 
ENDBRANCH   8  26
BRANCH   1  30
ATOM     29  C   LIG    1       -3.220  -0.069  -3.446  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -3.567   0.445  -2.057  0.00  0.00    +0.054 C 
ENDBRANCH   1  30
TORSDOF 4