REMARK  Name = BDB048390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.349  -1.821   1.373  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.728  -0.608   0.561  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.691   0.154   0.036  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.295  -0.337  -0.000  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.348   0.777  -0.262  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.752   2.054  -0.578  0.00  0.00    +0.044 A 
ATOM      7  N   LIG    1       -0.626   2.788  -0.745  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1       -0.532   3.772  -0.974  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1        0.491   2.066  -0.576  0.00  0.00    -0.158 NA
ATOM     10  C   LIG    1       -3.154   2.509  -0.687  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.074   0.829  -0.276  0.00  0.00    +0.150 A 
ATOM     12  C   LIG    1       -4.049   1.266  -0.873  0.00  0.00    +0.114 C 
ATOM     13  O   LIG    1       -5.915  -0.324   0.398  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1        0.834  -0.265  -0.015  0.00  0.00    -0.298 N 
ATOM     15  H   LIG    1        0.352  -1.128   0.196  0.00  0.00    +0.154 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.235  -0.451   0.020  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        3.165   0.560  -0.239  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        4.543   0.313  -0.188  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        5.028  -0.961   0.115  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1        6.503  -1.215   0.202  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        4.112  -1.978   0.392  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        2.736  -1.725   0.339  0.00  0.00    +0.023 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
TORSDOF 2