REMARK  Name = BDB016916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.755  -0.870  -0.927  0.00  0.00    -0.236 N 
ATOM      2  C   LIG    1       -0.155  -0.402   0.173  0.00  0.00    +0.162 C 
ATOM      3  C   LIG    1       -1.315  -1.275  -0.062  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.169  -2.079  -1.142  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.265  -2.844  -1.337  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1       -3.097  -2.503  -0.355  0.00  0.00    +0.108 A 
ATOM      7  C   LIG    1       -4.443  -3.107  -0.176  0.00  0.00    +0.086 C 
ATOM      8  N   LIG    1       -2.537  -1.531   0.472  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1        0.119  -1.861  -1.748  0.00  0.00    +0.273 C 
ATOM     10  O   LIG    1        0.540  -2.406  -2.756  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        5.224  -1.155  -3.054  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1        4.285  -0.610  -2.010  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        4.697   0.322  -1.021  0.00  0.00    +0.181 A 
ATOM     14  N   LIG    1        3.763   0.762  -0.112  0.00  0.00    -0.190 N 
ATOM     15  C   LIG    1        4.422   1.657   0.688  0.00  0.00    +0.221 A 
ATOM     16  N   LIG    1        5.680   1.748   0.297  0.00  0.00    -0.126 NA
ATOM     17  N   LIG    1        2.453   0.405  -0.034  0.00  0.00    -0.148 NA
ATOM     18  C   LIG    1        2.080  -0.446  -0.941  0.00  0.00    +0.150 A 
ATOM     19  N   LIG    1        5.852   0.904  -0.777  0.00  0.00    -0.127 NA
ATOM     20  C   LIG    1        2.993  -0.997  -1.988  0.00  0.00    +0.053 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.726   2.391   1.758  0.00  0.00    +0.410 C 
ATOM     22  F   LIG    1        4.586   3.105   2.536  0.00  0.00    -0.200 F 
ATOM     23  F   LIG    1        3.069   1.553   2.611  0.00  0.00    -0.200 F 
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   2  24
ATOM     24  C   LIG    1       -0.501   1.077   0.081  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1       -0.305   1.905   1.201  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -0.622   3.264   1.148  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.138   3.809  -0.025  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -1.529   5.483  -0.089  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -1.339   3.007  -1.146  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -1.022   1.648  -1.094  0.00  0.00    +0.007 A 
ENDBRANCH   2  24
BRANCH   8  31
ATOM     31  C   LIG    1       -3.092  -0.878   1.652  0.00  0.00    +0.083 C 
ATOM     32  C   LIG    1       -3.594  -1.851   2.718  0.00  0.00    +0.030 C 
ATOM     33  C   LIG    1       -4.147   0.166   1.289  0.00  0.00    +0.030 C 
ENDBRANCH   8  31
TORSDOF 4