REMARK  Name = BDB049502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.138   0.792  -0.646  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.198   0.438   0.480  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1        0.662  -0.209   1.335  0.00  0.00    -0.302 N 
ATOM      4  H   LIG    1        0.359  -0.485   2.264  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   3   5
ATOM      5  CA  LIG    1        2.015  -0.593   0.918  0.00  0.00    +0.186 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.465  -1.714   1.848  0.00  0.00    +0.326 C 
ATOM      7  O   LIG    1        2.104  -1.864   3.008  0.00  0.00    -0.249 OA
BRANCH   6   8
ATOM      8  OXT LIG    1        3.332  -2.576   1.285  0.00  0.00    -0.479 OA
ATOM      9  HXT LIG    1        3.515  -3.242   1.981  0.00  0.00    +0.295 HD
ENDBRANCH   6   8
ENDBRANCH   5   6
BRANCH   5  10
ATOM     10  C   LIG    1        2.979   0.598   1.009  0.00  0.00    +0.069 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.260   0.396   0.231  0.00  0.00    -0.045 A 
ATOM     12  C   LIG    1        5.465   0.126   0.895  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        6.643  -0.071   0.170  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        6.614   0.003  -1.229  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1        5.418   0.274  -1.904  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        4.246   0.470  -1.171  0.00  0.00    +0.006 A 
BRANCH  14  17
ATOM     17  N   LIG    1        7.850  -0.207  -1.993  0.00  0.00    +0.056 N 
ATOM     18  O   LIG    1        7.788  -0.119  -3.228  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1        8.884  -0.462  -1.359  0.00  0.00    -0.126 OA
ENDBRANCH  14  17
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -1.553   0.739   1.090  0.00  0.00    +0.108 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.668   0.795   0.027  0.00  0.00    +0.058 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.956  -0.607  -0.514  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1       -2.463  -0.981  -1.774  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -2.694  -2.262  -2.280  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.418  -3.187  -1.532  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.911  -2.833  -0.278  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.679  -1.553   0.230  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1       -3.942   1.506   0.491  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -4.801   2.053  -0.479  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.981   2.703  -0.112  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.324   2.814   1.232  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.492   2.272   2.207  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.311   1.620   1.841  0.00  0.00    +0.004 A 
ENDBRANCH  21  28
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 10