REMARK  Name = BDB009551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.670  -0.655   0.010  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.295   0.190   0.753  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.765  -0.337   0.629  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.868  -1.781   1.129  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -0.586  -2.603   0.995  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.489  -2.049   0.072  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        1.243  -2.846  -0.489  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.273   1.703   0.547  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.122   2.546   1.666  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.132   3.937   1.529  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.306   4.507   0.272  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -0.324   6.218   0.102  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.474   3.696  -0.845  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.463   2.305  -0.705  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.453  -0.182  -0.728  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -2.069  -0.905  -1.868  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -2.729  -0.717  -3.085  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -2.228  -1.605  -4.472  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -3.785   0.183  -3.189  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.187   0.901  -2.067  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.528   0.719  -0.848  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.074  -0.249  -0.335  0.00  0.00    +0.102 C 
BRANCH  22  24
ATOM     23  C   LIG    1        1.677   0.548  -2.781  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        2.407  -0.395  -1.845  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1        2.638   1.062   0.262  0.00  0.00    +0.181 C 
BRANCH  25  26
ATOM     26  O   LIG    1        4.060   1.176   0.104  0.00  0.00    -0.381 OA
ATOM     27  C   LIG    1        4.800   0.480   1.098  0.00  0.00    +0.194 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  28
ATOM     28  C   LIG    1        0.073  -2.883   2.359  0.00  0.00    +0.133 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.588  -4.030   3.074  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -1.687  -4.504   2.848  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        0.165  -4.491   4.090  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -0.362  -5.226   4.469  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9