REMARK  Name = BDB001343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.934  -0.067   1.089  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.930  -0.972   0.267  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1       -0.207  -1.512  -0.293  0.00  0.00    -0.298 N 
ATOM      4  H   LIG    1       -0.115  -2.379  -0.810  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.194  -1.605  -0.163  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        3.205  -0.845  -0.759  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1        4.397  -1.466  -1.148  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        4.586  -2.830  -0.912  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.583  -3.582  -0.299  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.385  -2.973   0.077  0.00  0.00    +0.017 A 
BRANCH   6  11
ATOM     11  O   LIG    1        2.975   0.481  -1.054  0.00  0.00    -0.455 OA
BRANCH  11  12
ATOM     12  C   LIG    1        3.898   1.379  -0.568  0.00  0.00    +0.128 A 
ATOM     13  C   LIG    1        4.466   2.274  -1.474  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        5.388   3.221  -1.026  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.725   3.281   0.327  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.134   2.401   1.236  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.213   1.452   0.791  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  CA  LIG    1       -1.536  -1.204   0.252  0.00  0.00    +0.186 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.873  -2.328   1.228  0.00  0.00    +0.326 C 
ATOM     20  O   LIG    1       -1.581  -3.509   1.086  0.00  0.00    -0.249 OA
BRANCH  19  21
ATOM     21  OXT LIG    1       -2.558  -1.921   2.313  0.00  0.00    -0.479 OA
ATOM     22  HXT LIG    1       -2.685  -2.731   2.849  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  18  19
BRANCH  18  23
ATOM     23  C   LIG    1       -2.572  -1.152  -0.873  0.00  0.00    +0.071 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.907  -0.628  -0.445  0.00  0.00    -0.020 A 
ATOM     25  C   LIG    1       -4.238   0.733  -0.146  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -5.588   0.767   0.204  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -6.250   1.950   0.561  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -5.501   3.130   0.559  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1       -4.152   3.133   0.217  0.00  0.00    +0.021 A 
ATOM     30 CL   LIG    1       -6.269   4.611   0.991  0.00  0.00    -0.083 Cl
ATOM     31  N   LIG    1       -6.062  -0.521   0.120  0.00  0.00    -0.360 N 
ATOM     32  H   LIG    1       -7.014  -0.796   0.318  0.00  0.00    +0.165 HD
ATOM     33  C   LIG    1       -3.509   1.941  -0.139  0.00  0.00    +0.012 A 
ATOM     34  C   LIG    1       -5.061  -1.368  -0.272  0.00  0.00    +0.087 A 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH   3  18
TORSDOF 8