REMARK  Name = BDB051252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.061   0.049  -0.275  0.00  0.00    +0.099 A 
ATOM      2  N   LIG    1       -1.123   0.490   0.427  0.00  0.00    -0.164 NA
ATOM      3  N   LIG    1       -2.162  -0.228  -0.040  0.00  0.00    -0.215 N 
ATOM      4  C   LIG    1       -1.806  -1.096  -1.039  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -2.731  -1.909  -1.653  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1       -2.463  -2.550  -2.390  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1       -4.060  -1.877  -1.276  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -4.443  -0.929  -0.186  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1       -5.773  -0.851   0.238  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -6.127   0.038   1.258  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.157   0.849   1.856  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.826   0.780   1.441  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1       -4.894  -2.598  -1.814  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -3.481  -0.110   0.422  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1       -0.458  -0.942  -1.222  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        3.802   1.797   0.385  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1        3.712   0.452   0.019  0.00  0.00    +0.092 A 
ATOM     18  C   LIG    1        2.460  -0.157  -0.186  0.00  0.00    +0.133 A 
ATOM     19  C   LIG    1        1.281   0.605  -0.048  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1        1.389   1.954   0.330  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        2.636   2.541   0.544  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        6.182   1.789   0.477  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        4.956   2.495   0.614  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
BRANCH  18  24
ATOM     24  O   LIG    1        2.320  -1.479  -0.531  0.00  0.00    -0.494 OA
ATOM     25  C   LIG    1        3.422  -2.344  -0.284  0.00  0.00    +0.277 C 
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 3