REMARK  Name = BDB017976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.607  -3.502   0.650  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.181  -3.065  -0.182  0.00  0.00    +0.218 C 
ATOM      3  C   LIG    1        0.033  -1.719  -0.875  0.00  0.00    +0.102 C 
ATOM      4  C   LIG    1       -0.831  -0.740  -0.071  0.00  0.00    +0.066 C 
ATOM      5  C   LIG    1       -0.208   0.633  -0.392  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.680   1.761   0.514  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.193   2.808  -0.256  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -1.712   3.963   0.294  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -1.728   4.052   1.685  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -1.247   3.003   2.486  0.00  0.00    +0.020 A 
ATOM     11 CL   LIG    1       -2.364   5.465   2.437  0.00  0.00    -0.083 Cl
ATOM     12  N   LIG    1       -1.150   2.490  -1.601  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1       -1.498   3.059  -2.357  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -0.727   1.843   1.901  0.00  0.00    +0.009 A 
ATOM     15  N   LIG    1        1.271   0.376  -0.490  0.00  0.00    -0.281 NA
ATOM     16  C   LIG    1       -0.646   1.212  -1.805  0.00  0.00    +0.243 C 
ATOM     17  O   LIG    1       -0.558   0.673  -2.900  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        1.373  -0.981  -1.103  0.00  0.00    +0.072 C 
ATOM     19  C   LIG    1        2.608  -1.856  -0.841  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        2.336  -3.264  -1.345  0.00  0.00    +0.106 C 
ATOM     21  N   LIG    1        1.243  -3.826  -0.592  0.00  0.00    -0.315 N 
ATOM     22  H   LIG    1        1.341  -4.723  -0.130  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   4  23
ATOM     23  C   LIG    1       -2.339  -0.854  -0.251  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -2.952  -1.020  -1.503  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -4.343  -1.099  -1.609  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -5.071  -1.294  -3.158  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -5.148  -1.016  -0.478  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -4.558  -0.856   0.772  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.167  -0.776   0.883  0.00  0.00    +0.004 A 
ENDBRANCH   4  23
BRANCH  15  30
ATOM     30  C   LIG    1        2.040   0.596   0.730  0.00  0.00    +0.089 C 
BRANCH  30  31
ATOM     31  C   LIG    1        3.501   0.798   0.418  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1        4.577   0.008   1.128  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1        4.386   1.457   1.454  0.00  0.00    +0.005 C 
ENDBRANCH  30  31
ENDBRANCH  15  30
TORSDOF 3