REMARK  Name = BDB054648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.424  -1.141  -0.035  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.170  -0.017  -0.492  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -3.488  -0.224  -0.365  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -3.619  -1.497   0.077  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -2.393  -2.076   0.284  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.688   1.248  -1.044  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.167   2.463  -0.537  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.686   3.675  -1.036  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.729   3.681  -2.050  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -0.259   2.477  -2.572  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -0.740   1.263  -2.076  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   4  12
ATOM     12  C   LIG    1       -4.905  -2.071   0.281  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -6.052  -1.306   0.013  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -7.324  -1.850   0.207  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -7.461  -3.157   0.668  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.328  -3.924   0.936  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.051  -3.386   0.744  0.00  0.00    +0.028 A 
ENDBRANCH   4  12
BRANCH   1  20
ATOM     18  N   LIG    1        0.765  -0.249   0.315  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1        0.259   0.619   0.432  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        0.011  -1.385   0.092  0.00  0.00    +0.252 C 
ATOM     21  O   LIG    1        0.444  -2.530   0.040  0.00  0.00    -0.270 OA
BRANCH  18  25
ATOM     22  C   LIG    1        4.948   0.249   0.667  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        4.424  -1.022   0.430  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        3.044  -1.223   0.310  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        2.166  -0.148   0.428  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        2.693   1.129   0.663  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        4.075   1.327   0.783  0.00  0.00    +0.047 A 
BRANCH  22  28
ATOM     28  O   LIG    1        6.311   0.299   0.762  0.00  0.00    -0.492 OA
BRANCH  28  30
ATOM     29  C   LIG    1        8.404   1.389   1.088  0.00  0.00    +0.048 C 
ATOM     30  C   LIG    1        6.899   1.573   1.015  0.00  0.00    +0.225 C 
ENDBRANCH  28  30
ENDBRANCH  22  28
ENDBRANCH  18  25
ENDBRANCH   1  20
TORSDOF 6