REMARK  Name = BDB016583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.791  -0.211   0.564  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1        0.709   0.172   0.434  0.00  0.00    +0.107 C 
ATOM      3  N   LIG    1        1.616  -0.524   1.361  0.00  0.00    -0.296 NA
ATOM      4  C   LIG    1        2.135  -1.769   0.774  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1        1.134  -2.925   0.724  0.00  0.00    +0.015 C 
ATOM      6  C   LIG    1       -0.163  -2.644  -0.029  0.00  0.00    +0.003 C 
ATOM      7  C   LIG    1       -1.085  -1.706   0.744  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -1.497   0.291  -0.626  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1       -1.087  -0.038  -1.503  0.00  0.00    +0.146 HD
BRANCH   8  16
ATOM     10  C   LIG    1       -7.069   1.270  -0.697  0.00  0.00    +0.176 C 
ATOM     11  N   LIG    1       -5.648   0.981  -0.749  0.00  0.00    -0.231 N 
ATOM     12  C   LIG    1       -5.030   0.747  -1.972  0.00  0.00    +0.287 A 
ATOM     13  O   LIG    1       -5.634   0.737  -3.045  0.00  0.00    -0.265 OA
ATOM     14  C   LIG    1       -3.562   0.492  -1.911  0.00  0.00    +0.129 A 
ATOM     15 CL   LIG    1       -2.769   0.115  -3.409  0.00  0.00    -0.076 Cl
ATOM     16  C   LIG    1       -2.867   0.525  -0.763  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1       -3.698   0.878   0.417  0.00  0.00    +0.157 A 
ATOM     18  N   LIG    1       -4.973   1.087   0.440  0.00  0.00    -0.175 NA
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1        2.715   0.355   1.823  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.704   0.837   0.778  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1        4.868   0.102   0.503  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.779   0.540  -0.459  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.543   1.723  -1.155  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.398   2.470  -0.888  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.486   2.032   0.075  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4