REMARK  Name = BDB005622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.794  -1.156   0.575  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.669  -0.346  -0.174  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -1.095   0.460  -1.173  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -1.906   1.273  -1.971  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -1.497   1.856  -2.688  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -3.262   1.350  -1.847  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -3.887   0.516  -0.789  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -5.383   0.624  -0.635  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -5.976  -0.476   0.254  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.092  -0.731   1.470  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -3.744  -1.025   1.015  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.085  -1.290   1.750  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -3.927   2.083  -2.574  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.287   0.480  -1.399  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        1.147  -0.302  -0.618  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -3.144  -0.279   0.007  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.594  -1.118   0.373  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -1.350  -3.320   1.107  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.257  -1.972   1.582  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        2.643  -0.273  -0.853  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.216   1.079  -0.767  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1        3.177   1.645   0.592  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1        4.175   1.011   1.565  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        5.592   1.043   1.003  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        5.633   0.468  -0.409  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        4.582   1.129  -1.307  0.00  0.00    +0.085 C 
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 3