REMARK  Name = BDB051628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.847   0.324  -0.129  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1       -0.470  -0.871  -0.762  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.878  -1.146  -1.010  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        1.865  -0.238  -0.615  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        1.495   0.963   0.002  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.144   1.242   0.248  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.682  -0.290  -0.029  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -4.363   0.198   0.101  0.00  0.00    +0.105 A 
ATOM      9  C   LIG    1       -4.132   1.480   0.712  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -2.784   1.697   0.706  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1       -2.229   0.584   0.111  0.00  0.00    -0.239 N 
ATOM     12  C   LIG    1       -5.078   2.361   1.224  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -6.383   1.848   1.081  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -3.174  -0.328  -0.257  0.00  0.00    -0.166 NA
ATOM     15  C   LIG    1       -6.676   0.583   0.484  0.00  0.00    +0.015 A 
BRANCH   7  19
ATOM     16  N   LIG    1       -5.021  -2.358  -1.106  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1       -5.238  -3.247  -1.534  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -4.054  -2.050  -1.046  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1       -6.039  -1.583  -0.635  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -7.207  -1.947  -0.713  0.00  0.00    -0.270 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.291  -0.566  -0.900  0.00  0.00    +0.248 C 
ATOM     22  N   LIG    1        4.184  -0.177   0.081  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1        3.794   0.188   0.940  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        3.551  -1.167  -1.935  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        5.589  -0.322   0.058  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        6.302  -0.813  -1.030  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        7.682  -0.900  -0.931  0.00  0.00    +0.112 A 
ATOM     28  N   LIG    1        8.385  -0.534   0.162  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        7.674  -0.061   1.203  0.00  0.00    +0.112 A 
ATOM     30  C   LIG    1        6.293   0.065   1.200  0.00  0.00    +0.043 A 
ENDBRANCH  22  25
ENDBRANCH   4  21
TORSDOF 4