REMARK  Name = BDB048522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.653   0.999  -0.001  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -1.651  -0.002  -0.038  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.990   0.385  -0.155  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.333   1.738  -0.232  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.352   2.742  -0.198  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -1.006   2.349  -0.082  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.252  -1.359   0.058  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -1.646  -1.957   1.358  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -1.406  -3.482   1.323  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -2.255  -4.184   0.332  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -1.604  -5.408  -0.126  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -2.623  -3.299  -0.795  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.608  -2.181  -1.126  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   5  14
ATOM     14  C   LIG    1       -2.721   4.167  -0.277  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1       -2.209   5.101   0.633  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -2.588   6.430   0.523  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -3.432   6.895  -0.421  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1       -3.913   5.989  -1.295  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -3.595   4.639  -1.264  0.00  0.00    +0.028 A 
ENDBRANCH   5  14
BRANCH   1  21
ATOM     20  C   LIG    1        1.835   1.259   0.204  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1        0.673   0.532   0.107  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        0.712  -0.485   0.135  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        1.943   2.480   0.216  0.00  0.00    -0.270 OA
BRANCH  20  28
ATOM     24  C   LIG    1        4.786  -2.584   1.820  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        4.508  -1.375   0.971  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.301  -0.655   1.057  0.00  0.00    +0.059 A 
ATOM     27 CL   LIG    1        2.115  -1.145   2.226  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        3.085   0.455   0.223  0.00  0.00    +0.057 A 
ATOM     29  C   LIG    1        4.091   0.875  -0.666  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        5.313   0.210  -0.725  0.00  0.00    +0.061 A 
ATOM     31  C   LIG    1        5.482  -0.936   0.064  0.00  0.00    +0.148 A 
ATOM     32  F   LIG    1        6.637  -1.617  -0.043  0.00  0.00    -0.203 F 
BRANCH  30  33
ATOM     33  N   LIG    1        6.252   0.554  -1.709  0.00  0.00    -0.356 N 
ATOM     34  H   LIG    1        6.258   1.538  -1.962  0.00  0.00    +0.142 HD
ATOM     35  H   LIG    1        7.184   0.194  -1.510  0.00  0.00    +0.142 HD
ENDBRANCH  30  33
ENDBRANCH  20  28
ENDBRANCH   1  21
TORSDOF 5