REMARK  Name = BDB049795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.107   0.559   0.995  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.133   0.691  -0.015  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.481   1.325  -1.205  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.338   1.293  -1.959  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -1.211   1.667  -2.889  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1       -0.349   0.658  -1.244  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1       -3.752   1.845  -1.462  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.707   1.705  -0.451  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.807   0.288  -0.059  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -4.395   1.075   0.756  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.994   0.478  -1.781  0.00  0.00    +0.282 C 
ATOM     12  N   LIG    1        1.939  -0.207  -1.037  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        1.749  -0.889   0.238  0.00  0.00    +0.126 C 
ATOM     14  C   LIG    1        3.051  -1.680   0.449  0.00  0.00    +0.070 C 
ATOM     15  C   LIG    1        4.082  -0.823  -0.288  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1        3.304  -0.356  -1.510  0.00  0.00    +0.110 C 
ATOM     17  O   LIG    1        1.286   0.939  -2.888  0.00  0.00    -0.267 OA
BRANCH  14  18
ATOM     18  N   LIG    1        3.399  -1.919   1.845  0.00  0.00    -0.326 NA
ATOM     19  H   LIG    1        3.509  -1.032   2.337  0.00  0.00    +0.119 HD
ATOM     20  H   LIG    1        4.308  -2.380   1.898  0.00  0.00    +0.119 HD
ENDBRANCH  14  18
ENDBRANCH   6  11
BRANCH   1  24
ATOM     21  N   LIG    1       -1.562  -0.584   2.489  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -1.348  -1.056   3.354  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -0.851  -0.505   1.767  0.00  0.00    +0.145 HD
ATOM     24  C   LIG    1       -2.823  -0.102   2.290  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1       -3.684  -0.216   3.155  0.00  0.00    -0.270 OA
ENDBRANCH   1  24
TORSDOF 3