REMARK  Name = BDB046920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.143   1.392  -0.371  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -5.249   0.560  -0.470  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -3.855   0.859  -0.101  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -2.912  -0.162  -0.249  0.00  0.00    +0.100 A 
ATOM      5  C   LIG    1       -1.596   0.157   0.096  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1       -1.235   1.377   0.606  0.00  0.00    -0.256 NA
ATOM      7  C   LIG    1       -2.189   2.324   0.722  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -3.268  -1.447  -0.711  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -4.501  -1.652  -1.023  0.00  0.00    +0.199 A 
ATOM     10  C   LIG    1       -3.508   2.119   0.381  0.00  0.00    +0.035 A 
ATOM     11  N   LIG    1       -5.482  -0.711  -0.927  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1       -6.435  -0.927  -1.182  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1       -0.499  -0.894   0.002  0.00  0.00    +0.139 C 
BRANCH  13  14
ATOM     14  N   LIG    1        0.820  -0.296  -0.259  0.00  0.00    -0.307 NA
ATOM     15  H   LIG    1        0.897   0.539   0.327  0.00  0.00    +0.123 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.896  -1.225   0.059  0.00  0.00    +0.116 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.247  -0.591  -0.172  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1        4.081  -0.265   0.906  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        5.330   0.321   0.684  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.754   0.591  -0.616  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.930   0.279  -1.695  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.682  -0.307  -1.475  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   5  13
TORSDOF 4