REMARK  Name = BDB022273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.607  -0.283   0.285  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.169  -0.645   0.135  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.744  -1.961   0.397  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.608  -2.289   0.212  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.539  -1.327  -0.194  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.151  -0.010  -0.419  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -1.680  -2.925   0.872  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -1.249  -4.283   1.169  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -2.999  -2.592   1.126  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -3.837  -3.362   1.592  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -0.203   0.314  -0.242  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -3.424  -1.220   0.789  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.995   0.998  -0.114  0.00  0.00    -0.327 N 
ATOM     14  H   LIG    1       -2.510   1.290  -0.960  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -4.406   1.431  -0.081  0.00  0.00    +0.094 C 
ATOM     16  C   LIG    1       -5.082   1.725   1.237  0.00  0.00    +0.042 C 
ATOM     17  C   LIG    1       -4.681   2.859   0.345  0.00  0.00    +0.042 C 
BRANCH  15  19
ATOM     18  C   LIG    1       -5.883   0.506  -2.068  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1       -5.215   0.931  -1.165  0.00  0.00    -0.080 C 
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        2.056   1.015  -0.759  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        1.609   1.781  -1.261  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.444   1.163  -0.531  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        4.246   1.928  -1.402  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        5.612   1.998  -1.151  0.00  0.00    +0.149 A 
ATOM     25 CL   LIG    1        6.707   2.897  -2.130  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        6.241   1.378  -0.127  0.00  0.00    -0.227 NA
ATOM     27  CA  LIG    1        5.446   0.646   0.695  0.00  0.00    +0.151 A 
ATOM     28  C   LIG    1        4.074   0.511   0.536  0.00  0.00    +0.059 A 
BRANCH  23  29
ATOM     29  C   LIG    1        3.674   2.616  -2.516  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        3.157   3.170  -3.395  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
BRANCH  27  31
ATOM     31  C   LIG    1        6.144  -0.039   1.820  0.00  0.00    +0.355 C 
ATOM     32  O   LIG    1        5.596  -0.750   2.642  0.00  0.00    -0.243 OA
BRANCH  31  33
ATOM     33  OXT LIG    1        7.470   0.232   1.798  0.00  0.00    -0.476 OA
ATOM     34  HXT LIG    1        7.681   0.825   1.039  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8