REMARK  Name = BDB063574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.218   0.552  -0.610  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.498  -0.201   0.253  0.00  0.00    -0.228 NA
ATOM      3  C   LIG    1       -1.839   0.033   0.382  0.00  0.00    +0.099 A 
ATOM      4  C   LIG    1       -2.473   1.063  -0.333  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1       -1.771   1.833  -1.205  0.00  0.00    -0.249 NA
ATOM      6  C   LIG    1       -0.444   1.565  -1.306  0.00  0.00    +0.155 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        4.322   0.166  -0.699  0.00  0.00    +0.076 C 
ATOM      8  C   LIG    1        3.577  -1.052  -0.157  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1        2.124  -0.703   0.175  0.00  0.00    +0.108 C 
ATOM     10  N   LIG    1        1.595   0.330  -0.733  0.00  0.00    -0.314 N 
ATOM     11  C   LIG    1        2.172   0.340  -2.074  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1        3.659   0.693  -1.981  0.00  0.00    +0.041 C 
BRANCH   7  15
ATOM     13  O   LIG    1        6.378   0.134   1.245  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        6.647  -0.197   0.092  0.00  0.00    +0.228 C 
ATOM     15  N   LIG    1        5.730  -0.134  -0.939  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1        5.976  -0.649  -1.779  0.00  0.00    +0.149 HD
BRANCH  14  17
ATOM     17  C   LIG    1        8.052  -0.617  -0.303  0.00  0.00    +0.204 C 
ATOM     18 CL   LIG    1        8.025  -1.821  -1.615  0.00  0.00    -0.116 Cl
ENDBRANCH  14  17
ENDBRANCH   7  15
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  C   LIG    1       -2.512  -0.902   1.303  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -2.003  -1.110   2.598  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -2.624  -1.991   3.488  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.763  -2.688   3.095  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.275  -2.512   1.812  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.652  -1.632   0.923  0.00  0.00    +0.010 A 
ENDBRANCH   3  19
BRANCH   4  25
ATOM     25  C   LIG    1       -3.894   1.437  -0.213  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.494   1.696   1.032  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -5.844   2.046   1.126  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.618   2.156  -0.026  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.042   1.924  -1.272  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.692   1.573  -1.364  0.00  0.00    +0.010 A 
ENDBRANCH   4  25
TORSDOF 5