REMARK  Name = BDB009544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.659   0.657  -0.118  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1       -0.557  -0.111   0.248  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.674   0.711   0.954  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.059   1.736   1.909  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -0.089   2.653   1.173  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        1.014   1.840   0.525  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        2.162   2.284   0.510  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -1.150  -0.821  -0.973  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.381  -0.131  -2.176  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.933  -0.789  -3.277  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.263  -2.139  -3.183  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.943  -2.948  -4.540  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.046  -2.837  -1.998  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.491  -2.182  -0.896  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.684  -0.173   1.681  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -4.007  -0.243   1.214  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -4.940  -1.061   1.853  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -6.554  -1.137   1.262  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.574  -1.819   2.962  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.264  -1.760   3.434  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.325  -0.945   2.798  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.784  -0.115  -0.727  0.00  0.00    +0.185 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.718  -0.644   0.386  0.00  0.00    +0.328 C 
ATOM     24  O   LIG    1        2.329  -0.953   1.510  0.00  0.00    -0.249 OA
BRANCH  23  25
ATOM     25  O   LIG    1        3.992  -0.816  -0.061  0.00  0.00    -0.464 OA
BRANCH  25  27
ATOM     26  C   LIG    1        4.935  -2.820   0.914  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        4.938  -1.303   0.903  0.00  0.00    +0.229 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  22  23
BRANCH  22  28
ATOM     28  C   LIG    1        2.475   0.679  -1.855  0.00  0.00    +0.030 C 
ATOM     29  C   LIG    1        2.960  -0.220  -2.988  0.00  0.00    +0.006 C 
ENDBRANCH  22  28
ENDBRANCH   1  22
BRANCH   5  30
ATOM     30  C   LIG    1       -0.763   3.525   0.114  0.00  0.00    +0.133 C 
BRANCH  30  31
ATOM     31  C   LIG    1        0.126   4.684  -0.243  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1        0.371   5.645   0.464  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        0.670   4.559  -1.467  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1        1.280   5.324  -1.535  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 10