REMARK  Name = BDB006675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.168   0.671   1.683  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        3.389  -0.196   0.769  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        2.002  -0.271   0.594  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.709   0.263   1.050  0.00  0.00    +0.147 C 
ATOM      5  N   LIG    1       -0.254  -0.546   0.231  0.00  0.00    -0.238 N 
ATOM      6  C   LIG    1        0.442  -1.435  -0.652  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1        0.006  -2.214  -1.482  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.809  -1.218  -0.363  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        3.017  -1.661  -0.747  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1        4.016  -1.062  -0.053  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.633  -0.524   0.365  0.00  0.00    +0.150 A 
ATOM     12  N   LIG    1       -2.354  -1.285  -0.396  0.00  0.00    -0.148 NA
ATOM     13  N   LIG    1       -3.692  -1.181  -0.186  0.00  0.00    -0.195 N 
ATOM     14  C   LIG    1       -4.338  -0.376   0.724  0.00  0.00    +0.181 A 
ATOM     15  N   LIG    1       -5.637  -0.556   0.629  0.00  0.00    -0.128 NA
ATOM     16  N   LIG    1       -5.860  -1.493  -0.356  0.00  0.00    -0.132 NA
ATOM     17  C   LIG    1       -3.549   0.458   1.560  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -4.154   1.378   2.587  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -4.690  -1.862  -0.840  0.00  0.00    +0.152 A 
ATOM     20  C   LIG    1       -4.426  -2.844  -1.911  0.00  0.00    +0.090 C 
ATOM     21  C   LIG    1       -2.211   0.396   1.401  0.00  0.00    +0.053 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1        0.732   1.745   0.728  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1        1.022   2.666   1.752  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        1.054   4.039   1.493  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.799   4.508   0.207  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        0.837   6.197  -0.110  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        0.514   3.615  -0.823  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        0.483   2.242  -0.566  0.00  0.00    +0.007 A 
ENDBRANCH   4  22
BRANCH   9  29
ATOM     29  C   LIG    1        3.260  -2.695  -1.768  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1        4.377  -2.583  -2.779  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1        2.952  -2.465  -3.229  0.00  0.00    +0.029 C 
ENDBRANCH   9  29
TORSDOF 3