REMARK  Name = BDB006647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.579   1.036   0.065  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.277   0.010   0.749  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.616   0.627   0.688  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.553   1.847   0.029  0.00  0.00    +0.153 A 
ATOM      5  N   LIG    1       -2.728   2.462  -0.059  0.00  0.00    -0.166 NA
ATOM      6  N   LIG    1       -3.559   1.587   0.554  0.00  0.00    -0.264 N 
ATOM      7  C   LIG    1       -2.928   0.464   1.062  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -3.625  -0.610   1.803  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -0.200   2.149  -0.388  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1        0.148   3.154  -0.984  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        4.876   2.887  -1.657  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        4.127   1.816  -0.906  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.787   0.689  -0.327  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        4.017  -0.246   0.336  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        4.909  -1.205   0.768  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        6.127  -0.863   0.400  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        4.529  -2.419   1.522  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1        2.636  -0.148   0.481  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1        1.966   0.899  -0.048  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1        6.051   0.325  -0.288  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1        2.780   1.895  -0.762  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1       -0.400  -1.317   0.021  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -0.505  -2.504   0.769  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.620  -3.744   0.134  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.632  -3.811  -1.257  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.773  -5.337  -2.037  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.533  -2.650  -2.018  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.420  -1.409  -1.384  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   6  29
ATOM     29  C   LIG    1       -5.006   1.866   0.688  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1       -6.055   1.037  -0.017  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1       -5.816   2.453  -0.446  0.00  0.00    +0.029 C 
ENDBRANCH   6  29
TORSDOF 3