REMARK  Name = BDB052231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.848  -1.082  -0.039  0.00  0.00    -0.066 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.656  -0.260  -0.488  0.00  0.00    +0.192 A 
ATOM      3  N   LIG    1        1.798  -0.876  -0.144  0.00  0.00    -0.207 NA
ATOM      4  C   LIG    1        2.957  -0.278  -0.462  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        2.989   0.901  -1.165  0.00  0.00    +0.084 A 
ATOM      6  C   LIG    1        1.766   1.430  -1.482  0.00  0.00    +0.135 A 
ATOM      7 CL   LIG    1        1.649   2.902  -2.356  0.00  0.00    -0.062 Cl
ATOM      8  N   LIG    1        0.584   0.888  -1.164  0.00  0.00    -0.210 NA
BRANCH   4   9
ATOM      9  N   LIG    1        4.116  -0.965  -0.089  0.00  0.00    -0.299 N 
ATOM     10  H   LIG    1        3.845  -1.837   0.360  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        5.381  -0.513   0.327  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        5.644   0.804   0.724  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        6.932   1.195   1.103  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        7.965   0.268   1.082  0.00  0.00    +0.124 A 
ATOM     15  F   LIG    1        9.199   0.643   1.444  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        7.734  -1.044   0.694  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        6.445  -1.431   0.318  0.00  0.00    +0.026 A 
ENDBRANCH   9  11
ENDBRANCH   4   9
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -2.018   0.337  -0.082  0.00  0.00    +0.193 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.435  -0.151   0.226  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -4.406  -0.381  -0.799  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -5.703  -0.821  -0.419  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -6.691  -1.047  -1.392  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -6.426  -0.857  -2.745  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.165  -0.440  -3.142  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.007  -1.040   0.931  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -5.051  -0.844   1.920  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.171  -0.208  -2.186  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -3.778  -0.409   1.572  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
BRANCH  18  30
ATOM     29  O   LIG    1       -0.810   1.385   1.815  0.00  0.00    -0.249 OA
ATOM     30  C   LIG    1       -1.574   1.456   0.863  0.00  0.00    +0.323 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -2.154   2.644   0.570  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -1.802   3.258   1.248  0.00  0.00    +0.295 HD
ENDBRANCH  30  31
ENDBRANCH  18  30
ENDBRANCH   1  18
TORSDOF 7