REMARK  Name = BDB042780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.265  -0.243  -0.740  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.488  -0.031   0.605  0.00  0.00    +0.084 C 
ATOM      3  N   LIG    1       -0.456   1.376   1.028  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.852   1.556   1.946  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -0.792   2.335   0.069  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.580   2.118  -1.297  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -0.840   3.107  -2.239  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -1.315   4.354  -1.836  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -1.496   4.589  -0.480  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -1.931   5.788  -0.072  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -0.582   2.815  -3.656  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1       -0.816   3.645  -4.527  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -0.073   1.568  -3.934  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1        0.128   1.353  -4.905  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1        0.210   0.593  -3.024  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -1.226   3.603   0.469  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -0.020   0.843  -1.767  0.00  0.00    +0.080 A 
ENDROOT
BRANCH   1  23
ATOM     18  C   LIG    1        5.883  -1.876  -0.002  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        4.455  -1.448  -0.158  0.00  0.00    -0.049 A 
ATOM     20  C   LIG    1        4.120  -0.098  -0.227  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        2.791   0.316  -0.411  0.00  0.00    +0.045 A 
ATOM     22 CL   LIG    1        2.573   2.029  -0.442  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        1.745  -0.623  -0.551  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1        2.096  -2.005  -0.473  0.00  0.00    -0.045 A 
ATOM     25  C   LIG    1        1.080  -3.114  -0.605  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        3.439  -2.392  -0.295  0.00  0.00    +0.007 A 
ENDBRANCH   1  23
BRANCH   2  27
ATOM     27  C   LIG    1       -1.960  -0.537   0.524  0.00  0.00    +0.029 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.609  -1.071   1.838  0.00  0.00    -0.036 C 
ATOM     29  C   LIG    1       -2.576  -0.045   2.979  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -4.085  -1.404   1.533  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -1.915  -2.363   2.306  0.00  0.00    +0.010 C 
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 3