REMARK  Name = BDB016800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.231  -0.840   0.010  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1        0.201   0.209   0.348  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.025  -0.601   0.264  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.795  -1.886  -0.099  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -1.946  -2.590  -0.190  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1       -2.893  -1.716   0.126  0.00  0.00    +0.114 A 
ATOM      7  N   LIG    1       -2.366  -0.466   0.424  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        0.619  -2.106  -0.276  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        1.131  -3.171  -0.579  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        5.885  -2.360  -0.944  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1        4.890  -1.372  -0.424  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        5.436  -0.102   0.142  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        6.649   0.085   0.186  0.00  0.00    -0.267 OA
ATOM     14  N   LIG    1        4.486   0.810   0.591  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1        4.934   2.079   1.147  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        3.125   0.555   0.542  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        2.607  -0.589   0.050  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        3.560  -1.566  -0.454  0.00  0.00    +0.033 A 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1        0.182   1.387  -0.614  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1        0.231   1.204  -2.008  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        0.194   2.301  -2.873  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.103   3.589  -2.355  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        0.052   4.939  -3.419  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        0.049   3.792  -0.978  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.087   2.697  -0.112  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   6  26
ATOM     26  C   LIG    1       -4.401  -2.120   0.133  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -4.764  -3.584   0.138  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -4.973  -2.758   1.373  0.00  0.00    +0.012 C 
ENDBRANCH   6  26
BRANCH   7  29
ATOM     29  C   LIG    1       -3.066   0.755   0.799  0.00  0.00    +0.083 C 
ATOM     30  C   LIG    1       -4.008   0.584   1.990  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1       -3.770   1.398  -0.394  0.00  0.00    +0.030 C 
ENDBRANCH   7  29
TORSDOF 4