REMARK  Name = BDB049815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.368   0.447   0.643  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -4.991   0.157   0.570  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -4.357  -0.402   1.676  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -3.051  -0.549   1.287  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -2.295  -0.883   1.865  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1       -2.922  -0.110  -0.010  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1       -5.013  -0.694   2.874  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -6.380  -0.404   2.932  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -4.083   0.335  -0.458  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -7.048   0.155   1.840  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -6.409   1.331  -1.625  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -5.406   1.161  -1.686  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -6.884   1.760  -2.404  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -7.111   1.045  -0.490  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -8.312   1.278  -0.414  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  C   LIG    1       -1.689  -0.094  -0.784  0.00  0.00    +0.280 C 
ATOM     17  N   LIG    1       -0.752  -1.044  -0.392  0.00  0.00    -0.305 N 
ATOM     18  H   LIG    1       -1.137  -1.880   0.024  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -1.475   0.676  -1.716  0.00  0.00    -0.267 OA
BRANCH  17  20
ATOM     20  C   LIG    1        0.461  -1.233  -1.185  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        1.369   0.013  -1.240  0.00  0.00    +0.107 C 
ATOM     22  N   LIG    1        2.724  -0.528  -1.094  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1        2.613  -1.610  -0.126  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1        1.355  -2.329  -0.592  0.00  0.00    +0.039 C 
BRANCH  22  25
ATOM     25  C   LIG    1        3.765   0.481  -0.860  0.00  0.00    +0.057 C 
ATOM     26  C   LIG    1        5.169  -0.147  -0.874  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1        6.271   0.918  -0.902  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        5.872   2.232  -0.230  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        4.874   2.009   0.895  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        3.576   1.362   0.397  0.00  0.00    +0.019 C 
ENDBRANCH  22  25
ENDBRANCH  17  20
ENDBRANCH   6  16
TORSDOF 4