REMARK  Name = BDB057269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.259  -0.044  -0.692  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1        0.510  -0.828   0.464  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        1.845  -0.962   0.875  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        2.899  -0.366   0.173  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.660   0.399  -0.969  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.335   0.552  -1.391  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.779   1.013  -1.669  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1        5.109   0.743  -1.348  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1        5.796   1.490  -2.171  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1        7.217   1.768  -2.445  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1        7.121   3.051  -3.311  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1        5.702   3.056  -3.912  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1        4.983   2.205  -2.991  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1        3.697   1.940  -2.703  0.00  0.00    +0.115 A 
ENDBRANCH   5   7
BRANCH   2  15
ATOM     15  N   LIG    1       -0.553  -1.449   1.148  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1       -0.425  -1.670   2.608  0.00  0.00    +0.133 C 
ATOM     17  C   LIG    1       -1.621  -2.499   3.105  0.00  0.00    +0.178 C 
ATOM     18  O   LIG    1       -1.672  -3.817   2.530  0.00  0.00    -0.377 OA
ATOM     19  C   LIG    1       -1.013  -3.905   1.256  0.00  0.00    +0.178 C 
ATOM     20  C   LIG    1       -1.123  -2.619   0.422  0.00  0.00    +0.133 C 
ENDBRANCH   2  15
BRANCH   1  21
ATOM     21  C   LIG    1       -1.140   0.224  -1.201  0.00  0.00    +0.141 C 
BRANCH  21  24
ATOM     22  O   LIG    1       -3.591   1.533  -1.629  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1       -3.179   1.387  -0.482  0.00  0.00    +0.218 C 
ATOM     24  N   LIG    1       -1.963   0.826  -0.177  0.00  0.00    -0.311 N 
ATOM     25  H   LIG    1       -1.829   0.432   0.748  0.00  0.00    +0.149 HD
BRANCH  23  26
ATOM     26  C   LIG    1       -3.977   1.830   0.729  0.00  0.00    +0.131 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.785   0.718   1.352  0.00  0.00    -0.037 A 
ATOM     28  C   LIG    1       -5.763   0.041   0.604  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1       -6.539  -0.971   1.185  0.00  0.00    +0.060 A 
ATOM     30 CL   LIG    1       -7.722  -1.748   0.191  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -6.342  -1.313   2.527  0.00  0.00    +0.059 A 
ATOM     32 CL   LIG    1       -7.261  -2.545   3.317  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1       -5.372  -0.640   3.279  0.00  0.00    +0.022 A 
ATOM     34  C   LIG    1       -4.599   0.369   2.696  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 6