REMARK  Name = BDB053913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.304  -0.178  -1.341  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.502  -0.505  -0.169  0.00  0.00    +0.221 C 
ATOM      3  N   LIG    1       -0.536  -0.581   0.765  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -1.914  -0.847   0.280  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -2.551   0.454  -0.252  0.00  0.00    +0.031 C 
ATOM      6  C   LIG    1       -2.514   1.552   0.833  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1       -1.099   1.731   1.407  0.00  0.00    +0.027 C 
ATOM      8  C   LIG    1       -0.514   0.391   1.857  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        1.910  -0.931   0.266  0.00  0.00    +0.101 C 
ATOM     10  C   LIG    1        3.026   0.165   0.356  0.00  0.00    +0.022 C 
ATOM     11  C   LIG    1        4.175  -0.062  -0.659  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        4.788   1.002  -1.343  0.00  0.00    +0.047 A 
ATOM     13  N   LIG    1        5.813   0.839  -2.219  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1        6.268  -0.411  -2.414  0.00  0.00    +0.130 A 
ATOM     15  C   LIG    1        5.768  -1.525  -1.778  0.00  0.00    +0.040 A 
ATOM     16 CL   LIG    1        7.565  -0.537  -3.528  0.00  0.00    -0.062 Cl
ATOM     17  C   LIG    1        4.341   2.428  -1.172  0.00  0.00    +0.056 C 
ATOM     18  C   LIG    1        3.593   2.645   0.131  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1        4.716  -1.341  -0.886  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.481   1.611   0.243  0.00  0.00    +0.014 C 
ATOM     21  C   LIG    1        3.587  -0.065   1.789  0.00  0.00    +0.093 C 
ATOM     22  N   LIG    1        3.350  -1.483   2.073  0.00  0.00    -0.314 NA
ATOM     23  H   LIG    1        3.406  -1.672   3.073  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        2.008  -1.752   1.556  0.00  0.00    +0.094 C 
ENDBRANCH   2   9
BRANCH   4  25
ATOM     25  C   LIG    1       -2.022  -2.057  -0.702  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1       -1.421  -3.352  -0.099  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -2.483  -4.266   0.503  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -3.497  -4.724  -0.544  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -3.712  -3.703  -1.661  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -3.479  -2.279  -1.169  0.00  0.00    +0.005 C 
ENDBRANCH   4  25
BRANCH   6  31
ATOM     31  C   LIG    1       -3.082   2.869   0.337  0.00  0.00    -0.044 A 
ATOM     32  C   LIG    1       -2.527   3.540  -0.764  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -3.060   4.754  -1.202  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.152   5.314  -0.546  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.713   4.662   0.549  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1       -4.182   3.447   0.989  0.00  0.00    +0.004 A 
ENDBRANCH   6  31
TORSDOF 3