REMARK  Name = BDB009590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.692   1.429   0.619  0.00  0.00    +0.085 C 
ATOM      2  C   LIG    1        2.006   0.042   0.072  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        3.165  -0.369   0.007  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1        0.899  -0.731  -0.281  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.460  -0.233   0.022  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -0.646   1.267  -0.387  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        0.658   2.083  -0.294  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.590  -1.067  -0.583  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.732  -1.213  -1.974  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -2.788  -1.953  -2.510  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.713  -2.554  -1.660  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -5.013  -3.467  -2.320  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -3.593  -2.419  -0.280  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.537  -1.678   0.257  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -1.789   1.923   0.386  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -1.695   2.214   1.756  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -2.771   2.793   2.430  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -2.638   3.132   4.111  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -3.953   3.092   1.758  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.061   2.808   0.399  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.989   2.226  -0.281  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.960   2.290   0.695  0.00  0.00    +0.109 C 
BRANCH  22  25
ATOM     23  N   LIG    1        4.505   0.929   2.005  0.00  0.00    -0.254 N 
ATOM     24  H   LIG    1        4.379   0.226   1.265  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        3.693   2.053   1.998  0.00  0.00    +0.227 C 
ATOM     26  O   LIG    1        3.549   2.789   2.973  0.00  0.00    -0.275 OA
BRANCH  23  27
ATOM     27  N   LIG    1        5.114   0.535   3.219  0.00  0.00    -0.254 NA
ATOM     28  H   LIG    1        6.056   0.935   3.229  0.00  0.00    +0.140 HD
ATOM     29  H   LIG    1        4.629   1.040   3.973  0.00  0.00    +0.140 HD
ENDBRANCH  23  27
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   4  30
ATOM     30  C   LIG    1        1.148  -2.169  -0.439  0.00  0.00    +0.112 C 
BRANCH  30  31
ATOM     31  C   LIG    1        1.566  -2.489  -1.845  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1        0.738  -3.392  -2.727  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1        2.039  -3.886  -2.170  0.00  0.00    +0.005 C 
ENDBRANCH  30  31
ENDBRANCH   4  30
TORSDOF 7