REMARK  Name = BDB016330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.777   2.416  -1.466  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.917   0.971  -0.977  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.637   0.553  -0.423  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.849   0.968  -0.942  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.389  -0.820  -0.220  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -2.379  -1.791   0.056  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -1.998  -3.137   0.252  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.665  -3.539   0.232  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.325  -2.594   0.029  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -3.770  -1.586   0.162  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.343  -2.412   0.290  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.548  -0.476   0.178  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.768  -0.627   0.301  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.028  -1.249  -0.170  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -3.959   0.895   0.117  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.081  -0.273  -0.391  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        2.125  -0.376   0.507  0.00  0.00    -0.280 N 
ATOM     18  H   LIG    1        2.010  -1.021   1.284  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        0.975   0.539  -1.304  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.318   0.386   0.548  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        4.219   0.158   1.608  0.00  0.00    +0.062 A 
ATOM     22 CL   LIG    1        3.877  -1.024   2.827  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        5.414   0.875   1.706  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        5.728   1.831   0.742  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        4.846   2.060  -0.313  0.00  0.00    +0.043 A 
ATOM     26 CL   LIG    1        5.243   3.237  -1.505  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        3.649   1.345  -0.415  0.00  0.00    +0.044 A 
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 2