REMARK  Name = BDB016569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.601   2.975  -0.542  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -0.737   2.171   0.669  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1       -2.029   1.467   0.733  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1       -2.138   0.241  -0.203  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -0.968  -0.729   0.033  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        0.376   0.005  -0.084  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1        0.388   1.239   0.852  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.481  -0.459  -0.073  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1       -3.900  -1.037   1.136  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.139  -1.674   1.230  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.975  -1.744   0.119  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.574  -1.176  -1.088  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.335  -0.538  -1.184  0.00  0.00    +0.004 A 
ENDBRANCH   4   8
BRANCH   6  14
ATOM     14  N   LIG    1        1.453  -0.927   0.258  0.00  0.00    -0.337 N 
ATOM     15  H   LIG    1        1.268  -1.480   1.098  0.00  0.00    +0.146 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.821  -0.747   0.053  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        3.809  -1.334   0.747  0.00  0.00    +0.129 A 
ATOM     18 CL   LIG    1        3.443  -2.419   2.051  0.00  0.00    -0.076 Cl
ATOM     19  C   LIG    1        5.252  -1.082   0.466  0.00  0.00    +0.287 A 
ATOM     20  O   LIG    1        6.135  -1.657   1.101  0.00  0.00    -0.265 OA
ATOM     21  N   LIG    1        5.512  -0.157  -0.540  0.00  0.00    -0.231 N 
ATOM     22  C   LIG    1        6.883   0.141  -0.914  0.00  0.00    +0.176 C 
ATOM     23  N   LIG    1        4.542   0.420  -1.318  0.00  0.00    -0.175 NA
ATOM     24  C   LIG    1        3.313   0.136  -1.036  0.00  0.00    +0.157 A 
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 3