REMARK  Name = BDB009922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.314  -1.451   0.868  0.00  0.00    -0.226 N 
ATOM      2  C   LIG    1       -0.466  -0.221   0.543  0.00  0.00    +0.131 C 
ATOM      3  C   LIG    1        0.343   0.857  -0.221  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        1.749   0.970   0.375  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        2.503  -0.367   0.322  0.00  0.00    +0.056 C 
ATOM      6  C   LIG    1        3.862  -0.174   1.030  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.706  -1.446   1.070  0.00  0.00    +0.236 C 
ATOM      8  O   LIG    1        2.308  -2.323   1.696  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.761  -0.537  -0.214  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -1.741  -1.242  -1.430  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -2.926  -1.502  -2.122  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -4.140  -1.057  -1.605  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -5.600  -1.373  -2.460  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -4.181  -0.356  -0.402  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.996  -0.098   0.291  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -0.345   2.221  -0.241  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -0.572   2.958   0.933  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -1.219   4.193   0.877  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -1.494   5.077   2.328  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -1.648   4.714  -0.341  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -1.428   3.994  -1.513  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -0.781   2.757  -1.463  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  24
ATOM     23  C   LIG    1       -0.226  -3.815   0.894  0.00  0.00    +0.127 C 
ATOM     24  N   LIG    1       -0.474  -2.500   1.481  0.00  0.00    -0.230 NA
ATOM     25  C   LIG    1       -0.400  -2.528   2.941  0.00  0.00    +0.127 C 
ENDBRANCH   1  24
BRANCH   5  26
ATOM     26  C   LIG    1        2.731  -0.916  -1.103  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.429   0.045  -2.022  0.00  0.00    +0.306 C 
ATOM     28  O   LIG    1        4.627   0.262  -2.072  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        2.577   0.713  -2.822  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        3.160   1.294  -3.356  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6