REMARK  Name = BDB016864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.840  -0.737   0.057  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.241   0.274   0.318  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.425  -0.539  -0.021  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.103  -1.787  -0.456  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.200  -2.549  -0.677  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1       -3.211  -1.770  -0.320  0.00  0.00    +0.114 A 
ATOM      7  N   LIG    1       -2.781  -0.498   0.036  0.00  0.00    -0.321 N 
ATOM      8  C   LIG    1        0.328  -1.965  -0.454  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        0.912  -2.983  -0.787  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     10  C   LIG    1        4.279   2.142   2.246  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        3.956   0.926   1.428  0.00  0.00    -0.019 A 
ATOM     12  C   LIG    1        4.935   0.041   0.951  0.00  0.00    +0.116 A 
ATOM     13  N   LIG    1        6.298   0.053   1.092  0.00  0.00    -0.129 NA
ATOM     14  N   LIG    1        6.789  -1.006   0.463  0.00  0.00    -0.065 NA
ATOM     15  N   LIG    1        5.751  -1.672  -0.075  0.00  0.00    -0.247 N 
ATOM     16  C   LIG    1        5.988  -2.882  -0.817  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1        4.556  -1.064   0.204  0.00  0.00    +0.091 A 
ATOM     18  C   LIG    1        3.222  -1.358  -0.111  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        2.219  -0.489   0.351  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        2.607   0.629   1.113  0.00  0.00    +0.029 A 
ENDBRANCH   1  19
BRANCH   2  21
ATOM     21  C   LIG    1       -0.097   1.516  -0.548  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -0.084   2.790   0.048  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        0.051   3.943  -0.731  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        0.178   3.834  -2.114  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        0.343   5.254  -3.070  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        0.171   2.584  -2.724  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        0.036   1.431  -1.946  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   7  28
ATOM     28  C   LIG    1       -3.598   0.563   0.636  0.00  0.00    +0.140 C 
ATOM     29  C   LIG    1       -3.385   1.958   0.034  0.00  0.00    +0.187 C 
ATOM     30  O   LIG    1       -4.821   2.169  -0.026  0.00  0.00    -0.376 OA
ATOM     31  C   LIG    1       -5.010   0.731   0.051  0.00  0.00    +0.187 C 
ENDBRANCH   7  28
BRANCH   6  32
ATOM     32  C   LIG    1       -4.669  -2.321  -0.276  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -4.892  -3.706   0.278  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1       -5.350  -2.509   1.056  0.00  0.00    +0.012 C 
ENDBRANCH   6  32
TORSDOF 4