REMARK  Name = BDB005641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.902  -0.464  -0.999  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.193  -1.663  -0.885  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.180  -1.650  -0.605  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -0.887  -0.450  -0.416  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -2.347  -0.541  -0.144  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1       -3.088   0.625   0.008  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -2.626   1.440  -0.402  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -4.538   0.619  -0.085  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -5.073  -0.582   0.686  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -4.425  -1.883   0.197  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.947  -1.746  -0.066  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -2.180  -3.002  -0.257  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -2.713  -4.106  -0.196  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.149   0.747  -0.494  0.00  0.00    +0.132 A 
ATOM     15  N   LIG    1       -0.847  -2.877  -0.517  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -0.347  -3.745  -0.649  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        1.218   0.741  -0.803  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        3.380  -0.459  -1.305  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  N   LIG    1        4.148  -0.086  -0.120  0.00  0.00    -0.312 NA
ATOM     20  H   LIG    1        3.936  -0.739   0.634  0.00  0.00    +0.122 HD
BRANCH  19  22
ATOM     21  C   LIG    1        6.350   0.284   0.862  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1        5.583  -0.097  -0.395  0.00  0.00    +0.078 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
BRANCH  14  23
ATOM     23  O   LIG    1       -0.756   1.972  -0.331  0.00  0.00    -0.492 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -0.460   2.496   0.973  0.00  0.00    +0.226 C 
ATOM     25  C   LIG    1       -1.292   3.749   1.174  0.00  0.00    +0.048 C 
ENDBRANCH  23  24
ENDBRANCH  14  23
TORSDOF 5