REMARK  Name = BDB006141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.650   0.460  -0.533  0.00  0.00    -0.261 N 
ATOM      2  C   LIG    1        1.498  -0.204  -0.968  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        0.502   0.740  -0.819  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.957   0.970  -0.982  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -1.084   2.387  -0.541  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1        0.168   2.990  -0.249  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1        0.428   4.156  -0.003  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.121   1.911  -0.404  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1        2.434   1.790  -0.284  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -2.335   3.062  -0.477  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -2.573   4.103   0.436  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1       -1.656   4.414   1.365  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -3.808   4.758   0.477  0.00  0.00    +0.078 A 
ATOM     14 CL   LIG    1       -4.097   6.021   1.613  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1       -4.833   4.378  -0.385  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -4.627   3.330  -1.278  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -3.391   2.674  -1.318  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.668  -0.032  -0.083  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1       -2.460  -1.080  -0.613  0.00  0.00    -0.044 A 
ATOM     20  C   LIG    1       -2.681  -1.263  -2.091  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -3.106  -1.972   0.264  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -2.965  -1.845   1.645  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -3.760  -2.956   2.690  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -2.189  -0.827   2.178  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.550   0.072   1.324  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   2  26
ATOM     26  C   LIG    1        1.365  -1.623  -1.451  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        1.248  -2.627  -0.307  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        2.411  -2.052  -2.473  0.00  0.00    +0.014 C 
ENDBRANCH   2  26
BRANCH   1  29
ATOM     29  C   LIG    1        4.035  -0.000  -0.458  0.00  0.00    +0.199 C 
BRANCH  29  34
ATOM     30  C   LIG    1        3.473  -2.054   4.033  0.00  0.00    +0.073 C 
ATOM     31  C   LIG    1        3.994  -1.867   2.652  0.00  0.00    +0.076 A 
ATOM     32  S   LIG    1        5.167  -2.947   2.017  0.00  0.00    -0.080 S 
ATOM     33  C   LIG    1        5.174  -2.059   0.552  0.00  0.00    +0.072 A 
ATOM     34  C   LIG    1        4.278  -1.005   0.621  0.00  0.00    +0.070 A 
ATOM     35  N   LIG    1        3.616  -0.906   1.838  0.00  0.00    -0.247 NA
ENDBRANCH  29  34
ENDBRANCH   1  29
TORSDOF 5