REMARK  Name = BDB003812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.624  -1.775   0.369  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -2.456  -0.953   1.262  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -3.872  -0.699   0.704  0.00  0.00    +0.086 C 
ATOM      4  C   LIG    1       -3.792   0.197  -0.540  0.00  0.00    +0.229 C 
ATOM      5  O   LIG    1       -4.324  -0.093  -1.612  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.087   1.368  -0.444  0.00  0.00    -0.254 N 
ATOM      7  H   LIG    1       -2.858   1.665  -1.388  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.670   2.469   0.122  0.00  0.00    +0.245 C 
ATOM      9  O   LIG    1       -3.701   3.528  -0.506  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1       -4.311   2.348   1.505  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -4.079   1.179   2.265  0.00  0.00    -0.369 OA
ATOM     12  C   LIG    1       -4.738   0.031   1.740  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -4.559  -2.049   0.363  0.00  0.00    +0.021 C 
ATOM     14  C   LIG    1       -3.592  -3.143  -0.100  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -2.287  -2.588  -0.655  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        2.162  -0.360  -0.699  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1        1.278  -0.931  -1.598  0.00  0.00    +0.127 A 
ATOM     18  N   LIG    1        0.045  -1.393  -1.264  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1       -0.363  -1.291   0.019  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        0.484  -0.740   0.984  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        1.750  -0.268   0.627  0.00  0.00    +0.020 A 
BRANCH  16  22
ATOM     22  C   LIG    1        3.477   0.104  -1.193  0.00  0.00    +0.341 C 
ATOM     23  O   LIG    1        3.820   0.009  -2.359  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.195   0.628  -0.173  0.00  0.00    -0.455 OA
BRANCH  24  26
ATOM     25  C   LIG    1        5.495   2.352  -1.360  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        5.528   1.157  -0.401  0.00  0.00    +0.106 C 
ATOM     27  C   LIG    1        6.486   0.062  -0.881  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        5.993   1.647   0.979  0.00  0.00    +0.055 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 4