REMARK  Name = BDB022202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.297  -2.907   0.385  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.505  -1.756  -0.019  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1       -2.085  -1.855  -0.110  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.330  -0.728  -0.486  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.080  -0.823  -0.473  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.748  -2.010  -0.154  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -0.023  -3.126   0.173  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.019   0.539  -0.858  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -3.349   0.585  -0.693  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1       -1.418  -3.050   0.200  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -4.165  -0.560  -0.248  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -5.378  -0.398  -0.128  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.151  -2.110  -0.089  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        2.487  -3.057  -0.262  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.151  -1.144   0.173  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        4.446  -1.274  -0.364  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        5.364  -0.264  -0.110  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        6.981  -0.293  -0.702  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        5.102   0.843   0.616  0.00  0.00    -0.227 NA
ATOM     20  CA  LIG    1        3.855   0.960   1.128  0.00  0.00    +0.151 A 
ATOM     21  C   LIG    1        2.866   0.003   0.928  0.00  0.00    +0.059 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.806  -2.410  -1.150  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        5.048  -3.364  -1.766  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
BRANCH  20  24
ATOM     24  C   LIG    1        3.598   2.197   1.931  0.00  0.00    +0.355 C 
ATOM     25  O   LIG    1        4.387   3.094   2.164  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  OXT LIG    1        2.338   2.254   2.409  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1        2.315   3.105   2.899  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  N   LIG    1       -1.238   1.585  -1.350  0.00  0.00    -0.340 N 
ATOM     29  H   LIG    1       -0.485   1.249  -1.947  0.00  0.00    +0.146 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -1.855   2.837  -1.796  0.00  0.00    +0.071 C 
ATOM     31  C   LIG    1       -1.065   4.115  -1.737  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -2.231   3.911  -0.816  0.00  0.00    +0.024 C 
ENDBRANCH  28  30
ENDBRANCH   8  28
TORSDOF 7