REMARK  Name = BDB058988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.838  -2.404  -0.144  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.135  -1.754   0.627  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.167  -0.358   0.710  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.798   0.400   0.033  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.789  -0.222  -0.743  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.784  -1.625  -0.832  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.992  -4.093   2.036  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.412  -4.684   0.778  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -0.864  -3.870  -0.241  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1       -0.326  -4.485  -1.389  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -0.324  -5.873  -1.527  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -0.857  -6.658  -0.516  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1       -0.854  -7.991  -0.643  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -1.395  -6.081   0.629  0.00  0.00    +0.042 A 
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        1.230   0.276   1.540  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        1.591   1.562   1.202  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        1.272   1.954   0.326  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        1.755  -0.358   2.449  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.707   2.225   1.837  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.939   2.136   0.973  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        4.729   0.976   0.989  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        5.853   0.882   0.170  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        6.816  -0.544   0.197  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        6.201   1.933  -0.676  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.417   3.087  -0.706  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.290   3.187   0.112  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  27
ATOM     27  C   LIG    1       -2.818   0.560  -1.539  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.135   1.852  -0.967  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1       -2.499   3.062  -1.275  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1       -1.527   3.295  -2.082  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1       -1.251   2.431  -2.547  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1       -3.135   3.999  -0.458  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1       -2.725   5.379  -0.371  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1       -4.075   3.372   0.343  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1       -4.081   2.069   0.032  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6