REMARK  Name = BDB005594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.201  -0.530  -0.010  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -0.731  -1.319  -0.695  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.096  -1.023  -0.616  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.569   0.067   0.132  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -4.028   0.335   0.156  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -4.508   1.464   0.817  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -3.844   2.233   0.827  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -5.886   1.904   0.636  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -6.807   0.690   0.615  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.359  -0.313  -0.454  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.867  -0.513  -0.473  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.357  -1.679  -1.243  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -5.112  -2.448  -1.831  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.631   0.834   0.836  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -3.004  -1.849  -1.285  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -2.680  -2.647  -1.814  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.264   0.542   0.764  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        1.681  -0.848  -0.072  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.499   0.281  -0.558  0.00  0.00    -0.300 NA
ATOM     20  C   LIG    1        2.233   0.536  -1.980  0.00  0.00    +0.105 C 
BRANCH  19  21
ATOM     21  C   LIG    1        3.944   0.024  -0.367  0.00  0.00    +0.099 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.402   0.120   1.113  0.00  0.00    +0.099 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.623   1.098   0.831  0.00  0.00    +0.104 C 
ATOM     24  N   LIG    1        5.846  -0.009   1.382  0.00  0.00    -0.307 NA
ATOM     25  C   LIG    1        6.389  -1.296   0.960  0.00  0.00    +0.104 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5