REMARK  Name = BDB042640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.457   1.295   1.782  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.558   0.573   2.192  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        2.844   1.221   2.407  0.00  0.00    +0.094 C 
ATOM      4  C   LIG    1        3.535   1.413   1.027  0.00  0.00    +0.127 C 
ATOM      5  N   LIG    1        3.690   0.112   0.308  0.00  0.00    -0.326 N 
ATOM      6  C   LIG    1        2.517  -0.809   0.400  0.00  0.00    +0.127 C 
ATOM      7  C   LIG    1        3.589   0.184   3.258  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1        2.941  -1.162   2.882  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        1.887  -0.799   1.826  0.00  0.00    +0.094 C 
ATOM     10  O   LIG    1        0.462   2.524   1.750  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        4.386   0.103  -0.910  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        4.809   1.276  -1.558  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        5.515   1.242  -2.768  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        5.827   0.023  -3.353  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        6.694  -0.024  -4.837  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        5.447  -1.159  -2.733  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        4.740  -1.113  -1.524  0.00  0.00    +0.024 A 
ENDBRANCH   5  11
BRANCH   1  18
ATOM     18  C   LIG    1       -0.763   0.479   1.397  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.966   1.374   1.098  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -4.662   0.482  -3.408  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -5.300  -0.288  -2.282  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.801  -0.246  -0.960  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1       -5.450  -0.991   0.047  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -4.926  -0.942   1.434  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1       -3.814  -0.155   1.641  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.493  -0.124   2.602  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -3.167   0.569   0.670  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1       -5.429  -1.558   2.366  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.569  -1.762  -0.260  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -7.207  -2.483   0.673  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -7.060  -1.806  -1.560  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -3.620   0.553  -0.593  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -6.431  -1.074  -2.565  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 4