REMARK  Name = BDB023716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.832  -0.246   0.935  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -1.127   0.885   0.565  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.174   1.497   1.494  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        0.060   2.906   0.941  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -0.211   2.759  -0.554  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.340   1.728  -0.605  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -1.657  -0.756   2.042  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.140   0.717   1.524  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        1.649   0.080   0.420  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1        1.624   0.655  -0.420  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        2.947  -0.418   0.820  0.00  0.00    +0.230 C 
ATOM     12  C   LIG    1        4.084   0.207   0.021  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        5.125  -0.584  -0.510  0.00  0.00    -0.039 A 
ATOM     14  C   LIG    1        6.153   0.020  -1.253  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        6.181   1.400  -1.439  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.184   2.194  -0.884  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.155  -2.082  -0.325  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1        4.303  -2.547   0.851  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1        4.150   1.604  -0.156  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.905  -1.953   0.742  0.00  0.00    +0.077 C 
ATOM     21  O   LIG    1        3.079  -0.037   2.209  0.00  0.00    -0.361 OA
ATOM     22  N   LIG    1        1.895   0.679   2.589  0.00  0.00    -0.069 NA
ENDBRANCH   3   8
BRANCH   5  23
ATOM     23  O   LIG    1        0.956   2.258  -1.212  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        0.825   2.392  -2.169  0.00  0.00    +0.210 HD
ENDBRANCH   5  23
BRANCH   1  25
ATOM     25  C   LIG    1       -2.793  -0.861  -0.101  0.00  0.00    +0.146 C 
BRANCH  25  30
ATOM     26  C   LIG    1       -6.945   1.752  -1.569  0.00  0.00    +0.069 C 
ATOM     27  C   LIG    1       -5.785   1.159  -0.868  0.00  0.00    +0.081 A 
ATOM     28  N   LIG    1       -5.506   1.517   0.391  0.00  0.00    -0.083 NA
ATOM     29  O   LIG    1       -4.399   0.776   0.758  0.00  0.00    -0.359 OA
ATOM     30  C   LIG    1       -4.000   0.004  -0.290  0.00  0.00    +0.150 A 
ATOM     31  C   LIG    1       -4.856   0.210  -1.347  0.00  0.00    +0.071 A 
ENDBRANCH  25  30
BRANCH  25  32
ATOM     32  C   LIG    1       -3.207  -2.335   0.171  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -1.995  -3.273   0.158  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1       -4.038  -2.556   1.440  0.00  0.00    +0.008 C 
ENDBRANCH  25  32
ENDBRANCH   1  25
TORSDOF 5