REMARK  Name = BDB006595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.479  -0.101  -0.551  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.053   1.307  -0.582  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.474   1.065  -0.889  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -2.698   1.682  -1.132  0.00  0.00    +0.141 A 
ATOM      5  N   LIG    1       -3.659   0.773  -1.383  0.00  0.00    -0.178 NA
ATOM      6  N   LIG    1       -3.025  -0.421  -1.274  0.00  0.00    -0.256 N 
ATOM      7  C   LIG    1       -1.719  -0.269  -0.998  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1       -0.561  -1.054  -0.795  0.00  0.00    +0.270 C 
ATOM      9  O   LIG    1       -0.502  -2.271  -0.842  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        4.028  -3.366   0.023  0.00  0.00    +0.152 C 
ATOM     11  N   LIG    1        3.641  -1.965  -0.067  0.00  0.00    -0.315 N 
ATOM     12  C   LIG    1        4.620  -0.979   0.059  0.00  0.00    +0.270 A 
ATOM     13  O   LIG    1        5.811  -1.216   0.242  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1        4.113   0.424  -0.049  0.00  0.00    +0.107 A 
ATOM     15 CL   LIG    1        5.245   1.717   0.076  0.00  0.00    -0.078 Cl
ATOM     16  C   LIG    1        2.809   0.665  -0.246  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        1.829  -0.408  -0.358  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        2.299  -1.668  -0.265  0.00  0.00    +0.112 A 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1       -0.043   2.041   0.745  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1        0.107   3.441   0.753  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        0.119   4.153   1.956  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.023   3.476   3.164  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -0.009   4.353   4.643  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.179   2.093   3.180  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.191   1.379   1.978  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   6  26
ATOM     26  C   LIG    1       -3.707  -1.711  -1.477  0.00  0.00    +0.108 C 
ATOM     27  C   LIG    1       -5.080  -1.993  -0.913  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1       -3.885  -2.708  -0.357  0.00  0.00    +0.029 C 
ENDBRANCH   6  26
TORSDOF 3