REMARK  Name = BDB019717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.582  -0.222  -0.517  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -1.888  -0.731  -0.572  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -2.769  -0.340  -1.592  0.00  0.00    -0.028 A 
ATOM      4  C   LIG    1       -2.321   0.577  -2.555  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -1.026   1.092  -2.490  0.00  0.00    +0.042 A 
ATOM      6 CL   LIG    1       -0.501   2.227  -3.671  0.00  0.00    -0.084 Cl
ATOM      7  C   LIG    1       -0.153   0.702  -1.476  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1        1.656  -0.636   0.354  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.989  -0.558  -0.597  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1        0.301  -0.662   0.597  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -0.188  -1.048   1.652  0.00  0.00    -0.270 OA
BRANCH   8  12
ATOM     12  C   LIG    1        2.579  -1.151   1.338  0.00  0.00    +0.140 C 
BRANCH  12  18
ATOM     13  C   LIG    1        8.052   0.065  -0.276  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1        6.642  -0.229   0.153  0.00  0.00    -0.032 A 
ATOM     15  C   LIG    1        5.836   0.741   0.767  0.00  0.00    +0.044 A 
ATOM     16 CL   LIG    1        6.415   2.342   1.063  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        4.528   0.438   1.156  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        3.998  -0.842   0.945  0.00  0.00    -0.029 A 
ATOM     19  C   LIG    1        4.797  -1.809   0.324  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        6.105  -1.506  -0.064  0.00  0.00    +0.005 A 
ENDBRANCH  12  18
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   3  21
ATOM     21  C   LIG    1       -4.174  -0.891  -1.650  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.148   0.172  -1.524  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -5.871   0.133  -2.235  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -5.695   0.545  -0.348  0.00  0.00    +0.176 C 
ATOM     25  N   LIG    1       -4.916   0.534   0.761  0.00  0.00    -0.316 N 
ATOM     26  H   LIG    1       -3.974   0.870   0.599  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -5.644   1.238   1.795  0.00  0.00    +0.127 C 
ATOM     28  C   LIG    1       -7.065   1.233   1.225  0.00  0.00    +0.163 C 
ATOM     29  N   LIG    1       -6.931   0.938  -0.230  0.00  0.00    -0.255 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6