REMARK  Name = BDB022270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.109   1.144  -0.217  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.625   1.135  -0.333  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.086   2.349  -0.377  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.487   2.315  -0.449  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.180   1.101  -0.504  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.496  -0.112  -0.511  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.626   3.585  -0.377  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.095   4.846  -0.442  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -2.010   3.624  -0.372  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.680   4.654  -0.422  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.097  -0.075  -0.423  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.722   2.334  -0.272  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.755  -0.081  -0.047  0.00  0.00    -0.340 N 
ATOM     14  H   LIG    1       -2.235  -0.677   0.594  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.866  -0.231  -1.287  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -4.195  -0.293   0.084  0.00  0.00    +0.070 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.403  -1.658   0.696  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -4.236  -1.861   2.183  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -5.604  -1.936   1.565  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        2.141  -1.364  -0.548  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        1.567  -2.080  -0.992  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.443  -1.764  -0.170  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        4.096  -2.832  -0.815  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        5.391  -3.143  -0.421  0.00  0.00    +0.149 A 
ATOM     25 CL   LIG    1        6.305  -4.424  -1.123  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        6.077  -2.491   0.540  0.00  0.00    -0.227 NA
ATOM     27  CA  LIG    1        5.439  -1.467   1.151  0.00  0.00    +0.151 A 
ATOM     28  C   LIG    1        4.144  -1.077   0.830  0.00  0.00    +0.059 A 
BRANCH  23  29
ATOM     29  C   LIG    1        3.447  -3.578  -1.846  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        2.867  -4.163  -2.663  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
BRANCH  27  31
ATOM     31  C   LIG    1        6.166  -0.723   2.221  0.00  0.00    +0.355 C 
ATOM     32  O   LIG    1        5.731   0.236   2.833  0.00  0.00    -0.243 OA
BRANCH  31  33
ATOM     33  OXT LIG    1        7.395  -1.214   2.468  0.00  0.00    -0.476 OA
ATOM     34  HXT LIG    1        7.762  -0.648   3.177  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8