REMARK  Name = BDB016385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.569  -0.434  -1.557  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -1.769  -0.009  -0.902  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.773  -0.011   0.507  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.825   0.076   0.872  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.719   0.831   1.225  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.086   0.190   1.150  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.798   0.641  -0.083  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.189   0.632  -1.294  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.848   0.889  -2.019  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.982   0.987  -0.030  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.263   0.923   2.685  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.888   0.286  -1.718  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.752   0.252  -3.123  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.563  -0.123  -3.739  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.478  -0.481  -2.958  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  23
ATOM     16  C   LIG    1        3.872   0.605   0.131  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1        2.863  -0.282   0.055  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1        2.971  -1.631   0.733  0.00  0.00    +0.063 C 
ATOM     19  N   LIG    1        3.974  -1.984   1.478  0.00  0.00    -0.299 NA
ATOM     20  H   LIG    1        3.842  -2.934   1.837  0.00  0.00    +0.187 HD
ATOM     21  C   LIG    1        1.822  -2.554   0.510  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1        0.755  -2.168  -0.202  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1        0.638  -0.850  -0.800  0.00  0.00    -0.015 C 
ATOM     24  C   LIG    1        1.643   0.036  -0.671  0.00  0.00    +0.019 C 
BRANCH  16  26
ATOM     25  C   LIG    1        5.907   1.542   1.238  0.00  0.00    +0.125 C 
ATOM     26  N   LIG    1        5.099   0.455   0.741  0.00  0.00    -0.352 N 
ATOM     27  H   LIG    1        5.130  -0.414   1.297  0.00  0.00    +0.145 HD
ENDBRANCH  16  26
ENDBRANCH   1  23
TORSDOF 2