REMARK  Name = BDB005562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.835  -0.548   0.213  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.654   0.204   0.142  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.597  -0.411  -0.021  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -0.635  -1.811  -0.078  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -1.863  -2.469  -0.185  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -1.906  -3.478  -0.212  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -3.066  -1.826  -0.217  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -3.036  -0.339  -0.178  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -4.365   0.367  -0.238  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -4.264   1.848   0.144  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -3.043   2.491  -0.502  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -1.850   1.732  -0.144  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -0.999   2.114  -0.548  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -4.119  -2.453  -0.291  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        0.535  -2.571  -0.012  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -1.872   0.339  -0.114  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        1.771  -1.937   0.129  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1        2.973   0.197   0.363  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        4.208  -0.513   0.481  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.343   0.504   0.666  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        5.478   1.416  -0.476  0.00  0.00    -0.327 NA
ATOM     22  H   LIG    1        4.576   1.879  -0.610  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1        5.624   0.874  -1.328  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 4