REMARK  Name = BDB054690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.722   0.459   0.316  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1       -1.121   0.801  -0.549  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.695  -0.343   0.921  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -2.842  -0.435   0.223  0.00  0.00    -0.196 NA
ATOM      5  C   LIG    1       -3.775  -1.206   0.804  0.00  0.00    +0.146 A 
ATOM      6  C   LIG    1       -3.635  -1.883   2.002  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -4.842  -2.582   2.232  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -5.699  -2.326   1.171  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.420  -1.730   2.652  0.00  0.00    +0.126 A 
ATOM     10  N   LIG    1       -5.039  -1.459   0.310  0.00  0.00    -0.324 N 
ATOM     11  N   LIG    1       -1.459  -0.959   2.098  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1       -5.567  -0.897  -0.925  0.00  0.00    +0.089 C 
ATOM     13  C   LIG    1       -5.516   0.641  -1.020  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -4.716   0.950  -2.282  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -4.935  -0.266  -3.167  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -4.871  -1.428  -2.188  0.00  0.00    +0.025 C 
ENDBRANCH  10  12
BRANCH   8  17
ATOM     17  C   LIG    1       -7.078  -2.861   0.954  0.00  0.00    +0.243 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -8.103  -1.858   1.364  0.00  0.00    -0.063 NA
ATOM     19  O   LIG    1       -8.895  -2.310   2.199  0.00  0.00    -0.149 OA
ENDBRANCH  17  18
ENDBRANCH   8  17
ENDBRANCH   1   3
BRANCH   1  24
ATOM     20  C   LIG    1        2.579   1.763   0.599  0.00  0.00    +0.106 A 
ATOM     21  N   LIG    1        2.417   1.118   1.806  0.00  0.00    -0.344 N 
ATOM     22  C   LIG    1        3.360   1.117   2.902  0.00  0.00    +0.149 C 
ATOM     23  C   LIG    1        1.189   0.509   1.847  0.00  0.00    +0.109 A 
ATOM     24  C   LIG    1        0.519   0.819   0.689  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        1.381   1.630  -0.086  0.00  0.00    +0.055 A 
BRANCH  20  31
ATOM     26  C   LIG    1        8.298   0.043  -1.912  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1        7.325   0.181  -0.832  0.00  0.00    -0.302 NA
ATOM     28  C   LIG    1        7.365   1.526  -0.220  0.00  0.00    +0.103 C 
ATOM     29  C   LIG    1        6.127   2.407  -0.466  0.00  0.00    +0.123 C 
ATOM     30  N   LIG    1        4.883   1.723  -0.118  0.00  0.00    -0.294 N 
ATOM     31  C   LIG    1        3.760   2.487   0.183  0.00  0.00    +0.263 C 
ATOM     32  O   LIG    1        3.772   3.713   0.109  0.00  0.00    -0.268 OA
ATOM     33  C   LIG    1        4.864   0.269  -0.329  0.00  0.00    +0.123 C 
ATOM     34  C   LIG    1        5.973  -0.188  -1.294  0.00  0.00    +0.103 C 
ENDBRANCH  20  31
ENDBRANCH   1  24
TORSDOF 6