REMARK  Name = BDB007542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.109  -0.025  -1.266  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.298  -0.895  -0.423  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.490  -1.999  -0.272  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.631  -2.640   0.497  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.457  -0.794   0.498  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        3.651  -0.245   0.000  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        4.775  -0.087   0.818  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        4.680  -0.542   2.142  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        3.489  -1.074   2.643  0.00  0.00    +0.043 A 
ATOM     10 CL   LIG    1        3.409  -1.583   4.286  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        2.368  -1.197   1.831  0.00  0.00    +0.033 A 
BRANCH   7  12
ATOM     12  N   LIG    1        6.008   0.377   0.364  0.00  0.00    -0.341 N 
ATOM     13  H   LIG    1        6.586   0.761   1.109  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1        6.183   1.049  -0.928  0.00  0.00    +0.075 C 
ATOM     15  C   LIG    1        7.680   1.056  -1.269  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1        7.983   2.178  -2.244  0.00  0.00    +0.161 C 
ATOM     17  O   LIG    1        7.699   3.469  -1.706  0.00  0.00    -0.380 OA
ATOM     18  C   LIG    1        6.699   3.502  -0.689  0.00  0.00    +0.161 C 
ATOM     19  C   LIG    1        5.605   2.470  -0.910  0.00  0.00    +0.050 C 
ENDBRANCH  12  14
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1       -0.774  -2.110  -0.979  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.909  -1.454  -0.184  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.147  -2.226   1.008  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -3.072  -2.010   1.253  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.210  -1.394  -1.010  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.373  -1.001  -0.179  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.624  -1.281  -0.920  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.872  -0.777  -0.225  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.798   0.234   0.747  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.970   0.708   1.352  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.212   0.201   0.972  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.291  -0.787  -0.006  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.455   0.755   1.184  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -8.128  -1.273  -0.604  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.341   0.430   0.178  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 8