REMARK  Name = BDB049811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.228  -0.187  -1.331  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -2.220  -0.250  -2.283  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1       -2.050  -0.204  -3.279  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1       -3.430  -0.383  -1.657  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -3.123  -0.371  -0.299  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.173  -0.483   0.636  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.489  -0.610   0.154  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.758  -0.619  -1.216  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -4.729  -0.503  -2.156  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.755  -0.241  -0.119  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1        3.348   0.758   0.128  0.00  0.00    +0.071 C 
ATOM     12  N   LIG    1        3.307  -0.076   1.351  0.00  0.00    -0.310 NA
ATOM     13  H   LIG    1        4.198  -0.547   1.505  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        2.230  -1.073   1.337  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1        0.937  -0.595   0.659  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        1.165  -0.136  -0.713  0.00  0.00    -0.292 N 
ATOM     17  C   LIG    1        0.177  -0.038  -1.694  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        0.482   0.174  -2.871  0.00  0.00    -0.267 OA
ATOM     19  C   LIG    1        2.552   0.174  -1.068  0.00  0.00    +0.126 C 
BRANCH  11  21
ATOM     20  C   LIG    1        4.997   2.045  -1.360  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        4.820   1.043  -0.227  0.00  0.00    +0.017 C 
ENDBRANCH  11  21
ENDBRANCH   1  17
BRANCH   6  22
ATOM     22  C   LIG    1       -3.936  -0.468   2.099  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1       -4.855  -0.595   2.899  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1       -2.652  -0.297   2.527  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -2.475  -0.226   3.518  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -1.898  -0.133   1.866  0.00  0.00    +0.145 HD
ENDBRANCH   6  22
TORSDOF 3