REMARK  Name = BDB009651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.235  -0.411  -0.316  0.00  0.00    -0.247 N 
ATOM      2  C   LIG    1        0.244  -0.311  -0.405  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.763   1.145  -0.275  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -0.013   2.053  -1.229  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1       -1.536   1.988  -1.048  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -2.155   2.511  -2.376  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -2.082   0.564  -0.840  0.00  0.00    +0.228 C 
ATOM      8  O   LIG    1       -3.274   0.362  -1.099  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -3.527  -1.250   1.411  0.00  0.00    +0.047 C 
ATOM     10  C   LIG    1       -2.833  -2.151   0.432  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1       -1.743  -1.754  -0.358  0.00  0.00    +0.131 A 
ATOM     12  N   LIG    1       -1.090  -2.619  -1.179  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1       -1.552  -3.884  -1.261  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1       -2.642  -4.351  -0.555  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.288  -3.471   0.301  0.00  0.00    +0.008 A 
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  C   LIG    1        0.942  -1.179   0.656  0.00  0.00    -0.026 A 
ATOM     17  C   LIG    1        0.643  -1.043   2.023  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        1.297  -1.828   2.975  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.254  -2.754   2.569  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        3.061  -3.720   3.743  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        2.562  -2.905   1.220  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        1.908  -2.122   0.266  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   3  23
ATOM     23  C   LIG    1        2.263   1.295  -0.524  0.00  0.00    -0.041 A 
ATOM     24  C   LIG    1        2.857   0.942  -1.747  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        4.233   1.083  -1.931  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        4.941   0.643  -3.436  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        5.038   1.576  -0.907  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        4.463   1.929   0.312  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        3.086   1.790   0.502  0.00  0.00    +0.004 A 
ENDBRANCH   3  23
BRANCH   5  30
ATOM     30  C   LIG    1       -2.087   2.915   0.063  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -1.458   2.743   1.418  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1       -1.622   1.763   2.128  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -0.644   3.759   1.778  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -0.601   4.503   1.149  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 6