REMARK  Name = BDB050276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.677   1.817   0.379  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.438   1.405  -0.138  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.294   1.416   0.667  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -0.392   1.824   2.002  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.620   2.236   2.522  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.757   2.233   1.714  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.029   0.967   0.142  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1        1.874   0.418   0.967  0.00  0.00    -0.089 NA
ATOM      9  C   LIG    1        1.322   1.165  -1.333  0.00  0.00    +0.069 C 
BRANCH   8  10
ATOM     10  O   LIG    1        3.051   0.028   0.309  0.00  0.00    -0.389 OA
BRANCH  10  11
ATOM     11  C   LIG    1        3.935  -0.564   1.260  0.00  0.00    +0.298 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.204  -0.958   0.552  0.00  0.00    -0.006 A 
ATOM     13  C   LIG    1        6.198  -0.001   0.297  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        7.365  -0.365  -0.375  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        8.580   0.816  -0.676  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        7.554  -1.676  -0.806  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        6.566  -2.631  -0.568  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        5.395  -2.273   0.104  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -3.919   1.774  -0.486  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.665   0.433  -0.389  0.00  0.00    +0.230 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -6.049   0.580  -1.025  0.00  0.00    +0.334 C 
ATOM     22  O   LIG    1       -6.608   1.619  -1.342  0.00  0.00    -0.248 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -6.692  -0.598  -1.185  0.00  0.00    -0.479 OA
ATOM     24  H   LIG    1       -7.535  -0.354  -1.619  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  O   LIG    1       -3.912  -0.569  -1.086  0.00  0.00    -0.365 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -4.503  -2.627   0.079  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1       -3.421  -1.615  -0.250  0.00  0.00    +0.157 C 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 10