REMARK  Name = BDB006923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.002   5.012  -1.928  0.00  0.00    +0.025 C 
ATOM      2  C   LIG    1       -2.734   4.088  -0.741  0.00  0.00    +0.065 C 
ATOM      3  N   LIG    1       -3.859   3.135  -0.617  0.00  0.00    -0.310 NA
ATOM      4  H   LIG    1       -3.899   2.582  -1.474  0.00  0.00    +0.122 HD
ATOM      5  C   LIG    1       -3.576   2.222   0.511  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -2.229   1.468   0.366  0.00  0.00    +0.158 C 
ATOM      7  N   LIG    1       -1.096   2.417   0.178  0.00  0.00    -0.280 NA
ATOM      8  C   LIG    1       -1.366   3.368  -0.912  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.030   0.629   1.652  0.00  0.00    +0.234 C 
ATOM     10  N   LIG    1       -1.963  -0.753   1.528  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -2.235  -1.515   0.305  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1       -2.438  -3.005   0.597  0.00  0.00    +0.179 C 
ATOM     13  O   LIG    1       -1.322  -3.595   1.274  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1       -0.732  -2.750   2.274  0.00  0.00    +0.179 C 
ATOM     15  C   LIG    1       -1.599  -1.559   2.695  0.00  0.00    +0.136 C 
ATOM     16  O   LIG    1       -1.895   1.169   2.754  0.00  0.00    -0.274 OA
ENDBRANCH   6   9
BRANCH   7  17
ATOM     17  C   LIG    1        0.238   1.782   0.089  0.00  0.00    +0.181 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.423   0.747  -1.028  0.00  0.00    +0.234 C 
ATOM     19  N   LIG    1        1.489  -0.136  -0.956  0.00  0.00    -0.269 N 
ATOM     20  C   LIG    1        2.616  -0.208  -0.114  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        3.353  -1.365  -0.410  0.00  0.00    -0.019 A 
ATOM     22  C   LIG    1        4.519  -1.685   0.280  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        4.963  -0.820   1.276  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.241   0.343   1.560  0.00  0.00    +0.043 A 
ATOM     25 CL   LIG    1        4.816   1.411   2.785  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        2.704  -2.174  -1.511  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1        2.113  -3.474  -0.952  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1        3.667  -2.476  -2.663  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1        3.066   0.660   0.869  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1        1.587  -1.208  -1.960  0.00  0.00    +0.124 C 
ATOM     31  O   LIG    1       -0.376   0.659  -1.970  0.00  0.00    -0.274 OA
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 3