REMARK  Name = BDB059692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.391   2.409   0.590  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1        0.790   1.002   0.214  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.033   0.130  -0.423  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.483  -1.252  -0.746  0.00  0.00    +0.278 A 
ATOM      5  O   LIG    1       -0.165  -2.110  -1.333  0.00  0.00    -0.265 OA
ATOM      6  N   LIG    1        1.797  -1.498  -0.317  0.00  0.00    -0.179 N 
ATOM      7  C   LIG    1        2.593  -0.578   0.337  0.00  0.00    +0.155 A 
ATOM      8  C   LIG    1        3.793  -1.201   0.579  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        3.642  -2.491   0.041  0.00  0.00    +0.156 A 
ATOM     10  N   LIG    1        2.439  -2.686  -0.506  0.00  0.00    -0.169 NA
ATOM     11  N   LIG    1        2.083   0.649   0.588  0.00  0.00    -0.342 N 
ATOM     12  H   LIG    1        2.625   1.371   1.065  0.00  0.00    +0.167 HD
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        4.931  -0.654   1.230  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        5.853  -0.194   1.763  0.00  0.00    -0.191 NA
ENDBRANCH   8  13
BRANCH   3  15
ATOM     15  C   LIG    1       -1.439   0.397  -0.909  0.00  0.00    +0.045 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.543  -0.240  -0.038  0.00  0.00    -0.013 C 
ATOM     17  C   LIG    1       -2.566   0.324   1.384  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -3.909  -0.032  -0.697  0.00  0.00    +0.007 C 
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 3