REMARK  Name = BDB040622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.267  -2.262  -0.385  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -0.769  -1.766   0.820  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.649  -0.678   0.840  0.00  0.00    +0.045 A 
ATOM      4 CL   LIG    1       -2.201  -0.182   2.405  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -2.057  -0.043  -0.356  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -1.555  -0.557  -1.582  0.00  0.00    -0.045 A 
ATOM      7  C   LIG    1       -1.923   0.035  -2.919  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.662  -1.647  -1.577  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.026   1.140  -0.358  0.00  0.00    +0.107 C 
ATOM     10  C   LIG    1       -2.599   2.296   0.547  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -1.439   2.694   0.632  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -3.607   2.961   1.204  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -3.310   3.734   1.785  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -4.945   2.932   0.909  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -5.711   3.779   1.360  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.397   1.882  -0.075  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -4.463   0.684  -0.071  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.756  -3.373  -0.385  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.560  -2.638   1.109  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        2.072  -2.814  -0.177  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.370  -2.126  -0.863  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.123  -3.281   2.063  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        3.691  -1.600   1.239  0.00  0.00    +0.101 C 
ATOM     24  C   LIG    1        4.933  -2.102   0.479  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1        4.083  -1.431   2.720  0.00  0.00    +0.029 C 
BRANCH  23  30
ATOM     26  C   LIG    1        1.303   3.082  -1.055  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        1.983   1.909  -0.440  0.00  0.00    -0.014 A 
ATOM     28  C   LIG    1        1.879   1.604   0.899  0.00  0.00    +0.117 A 
ATOM     29  N   LIG    1        2.468   0.535   1.472  0.00  0.00    -0.239 NA
ATOM     30  C   LIG    1        3.173  -0.283   0.667  0.00  0.00    +0.143 A 
ATOM     31  N   LIG    1        3.302  -0.090  -0.666  0.00  0.00    -0.239 NA
ATOM     32  C   LIG    1        2.715   1.010  -1.181  0.00  0.00    +0.117 A 
ENDBRANCH  23  30
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5