REMARK  Name = BDB016580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.615  -1.182   0.215  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1       -0.362  -0.489  -0.175  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1        0.481  -1.307  -1.178  0.00  0.00    +0.084 C 
ATOM      4  C   LIG    1        0.759  -2.725  -0.684  0.00  0.00    +0.025 C 
ATOM      5  C   LIG    1       -0.538  -3.382  -0.231  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1       -1.304  -2.511   0.770  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.659  -1.035   1.719  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -2.408  -0.337   1.153  0.00  0.00    +0.084 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.870   0.965   0.496  0.00  0.00    -0.031 A 
ATOM     10  C   LIG    1       -2.587   2.199   1.101  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -3.009   3.392   0.511  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.719   3.366  -0.688  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.009   2.148  -1.299  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -3.588   0.954  -0.711  0.00  0.00    +0.005 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  N   LIG    1        1.704  -0.630  -1.607  0.00  0.00    -0.337 N 
ATOM     16  H   LIG    1        1.645  -0.278  -2.565  0.00  0.00    +0.146 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.748  -0.038  -0.899  0.00  0.00    +0.071 A 
ATOM     18  C   LIG    1        3.653   0.809  -1.418  0.00  0.00    +0.129 A 
ATOM     19 CL   LIG    1        3.573   1.265  -3.093  0.00  0.00    -0.076 Cl
ATOM     20  C   LIG    1        4.753   1.418  -0.615  0.00  0.00    +0.287 A 
ATOM     21  O   LIG    1        5.542   2.218  -1.117  0.00  0.00    -0.265 OA
ATOM     22  N   LIG    1        4.812   1.020   0.716  0.00  0.00    -0.231 N 
ATOM     23  C   LIG    1        5.826   1.564   1.600  0.00  0.00    +0.176 C 
ATOM     24  N   LIG    1        3.911   0.167   1.297  0.00  0.00    -0.175 NA
ATOM     25  C   LIG    1        2.977  -0.312   0.542  0.00  0.00    +0.157 A 
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 4