REMARK  Name = BDB001782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.159  -0.330  -0.245  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.976  -1.503  -0.985  0.00  0.00    +0.158 A 
ATOM      3  C   LIG    1        1.718  -1.906  -1.415  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.605  -1.127  -1.097  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        0.759   0.041  -0.340  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.043   0.444   0.073  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.392   0.926   0.003  0.00  0.00    +0.279 C 
ATOM      8  N   LIG    1       -1.714   0.488   0.270  0.00  0.00    -0.200 N 
ATOM      9  C   LIG    1       -2.856   1.241   0.523  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -2.888   2.725   0.516  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -3.873   0.342   0.759  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -3.284  -0.929   0.641  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1       -3.928  -2.255   0.803  0.00  0.00    +0.067 C 
ATOM     14  N   LIG    1       -1.984  -0.846   0.347  0.00  0.00    -0.169 NA
ATOM     15  O   LIG    1       -0.166   2.136   0.077  0.00  0.00    -0.265 OA
ENDBRANCH   5   7
BRANCH   1  17
ATOM     16  C   LIG    1        4.688   1.145   0.823  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        4.458  -0.059   0.099  0.00  0.00    -0.491 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  O   LIG    1        4.050  -2.285  -1.313  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1        4.822  -1.830  -0.924  0.00  0.00    +0.292 HD
ENDBRANCH   2  18
TORSDOF 3