REMARK  Name = BDB045981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.597  -2.234   0.642  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        2.849  -1.209   0.074  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        2.301   0.049   0.622  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        1.615   0.683  -0.398  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        1.664  -0.041  -1.646  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        2.431   0.454   1.762  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        2.456  -1.251  -1.278  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        2.797  -2.311  -2.103  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        3.543  -3.350  -1.556  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.935  -3.311  -0.207  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        3.926  -1.297   2.907  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        3.382  -0.461   2.698  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        4.215  -1.428   3.866  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.087  -2.337   2.047  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        4.648  -3.356   2.440  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1        0.931   1.956  -0.256  0.00  0.00    +0.109 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.396   1.864   0.502  0.00  0.00    +0.034 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.454   1.054  -0.255  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.748   1.051   0.440  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1       -3.496   2.320   0.307  0.00  0.00    +0.112 C 
ATOM     21  C   LIG    1       -4.657   2.252  -0.699  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1       -5.623   1.241  -0.387  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -5.063   0.130   0.326  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1       -3.579  -0.091   0.001  0.00  0.00    +0.112 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5