REMARK  Name = BDB016346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.027  -1.835   0.104  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.167  -1.192   1.189  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.006  -0.519   0.639  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.297  -1.177   0.322  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.043   0.644  -0.137  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.125   1.556  -0.195  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.043   2.684  -1.038  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.903   2.968  -1.778  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.190   2.123  -1.685  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.349   1.476   0.499  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.059   2.153   0.248  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -3.790   0.685   1.505  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -4.949   0.844   1.905  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.147   0.975  -0.871  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.891  -0.303   2.168  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.364   0.138  -0.826  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        2.173   0.105   0.322  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        3.333  -0.680   0.362  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        3.683  -1.460  -0.747  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        2.887  -1.437  -1.893  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.740  -0.641  -1.932  0.00  0.00    +0.008 A 
BRANCH  18  22
ATOM     22  C   LIG    1        4.146  -0.676   1.606  0.00  0.00    +0.242 C 
ATOM     23  O   LIG    1        3.669  -0.367   2.690  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1        5.471  -0.999   1.492  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        5.953  -0.962   0.606  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        6.026  -0.855   2.327  0.00  0.00    +0.145 HD
ENDBRANCH  18  22
ENDBRANCH  14  16
TORSDOF 2