REMARK  Name = BDB045982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.927   1.426  -1.716  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        2.568   1.135  -1.734  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.390   1.845  -1.194  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        0.273   1.088  -1.499  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        0.588  -0.103  -2.254  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        1.402   2.902  -0.593  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        2.074  -0.021  -2.367  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        2.916  -0.920  -3.002  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        4.280  -0.648  -3.001  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.776   0.506  -2.369  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        3.903   3.426  -0.264  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.373   4.255   0.072  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        2.888   3.406  -0.169  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.599   2.599  -1.088  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        5.789   2.821  -1.295  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1       -1.085   1.450  -1.137  0.00  0.00    +0.109 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.413   1.223   0.342  0.00  0.00    +0.034 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.428  -0.263   0.722  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.760  -0.491   2.138  0.00  0.00    -0.302 NA
ATOM     20  C   LIG    1       -3.162  -0.210   2.484  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1       -4.157  -1.240   1.941  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -3.772  -2.656   2.356  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -2.311  -2.944   2.026  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -1.393  -1.849   2.574  0.00  0.00    +0.084 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5