REMARK  Name = BDB014344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.625   2.246  -1.050  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1       -1.653   1.576  -0.337  0.00  0.00    +0.097 A 
ATOM      3  C   LIG    1       -1.082   0.578   0.455  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -1.923  -0.173   1.279  0.00  0.00    +0.101 A 
ATOM      5  N   LIG    1       -3.250   0.072   1.237  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -3.707   1.048   0.424  0.00  0.00    +0.240 A 
ATOM      7  N   LIG    1        0.271   0.595   0.176  0.00  0.00    -0.343 N 
ATOM      8  N   LIG    1       -2.975   1.835  -0.375  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1        0.553   1.617  -0.704  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.508  -1.196   2.221  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -0.937  -0.870   3.459  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -0.560  -1.884   4.335  0.00  0.00    +0.060 A 
ATOM     13 CL   LIG    1        0.159  -1.507   5.846  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1       -0.769  -3.200   3.954  0.00  0.00    +0.130 A 
ATOM     15  N   LIG    1       -1.329  -3.560   2.775  0.00  0.00    -0.261 NA
ATOM     16  C   LIG    1       -1.702  -2.550   1.950  0.00  0.00    +0.120 A 
ENDBRANCH   4  10
BRANCH   6  17
ATOM     17  C   LIG    1       -5.193   1.298   0.405  0.00  0.00    +0.374 C 
ATOM     18  O   LIG    1       -5.788   2.137  -0.251  0.00  0.00    -0.242 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -5.887   0.470   1.222  0.00  0.00    -0.475 OA
ATOM     20  H   LIG    1       -6.817   0.749   1.105  0.00  0.00    +0.296 HD
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   1  21
ATOM     21  C   LIG    1       -0.791   3.385  -2.007  0.00  0.00    +0.041 C 
BRANCH  21  23
ATOM     22  C   LIG    1        0.715   5.068  -0.808  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -0.671   4.794  -1.396  0.00  0.00    -0.013 C 
ATOM     24  C   LIG    1       -1.759   5.087  -0.362  0.00  0.00    +0.007 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH   7  25
ATOM     25  C   LIG    1        1.316  -0.290   0.672  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.853  -1.277  -0.382  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        0.807  -2.306  -0.822  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        1.332  -3.199  -1.951  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1        2.805  -3.618  -1.792  0.00  0.00    -0.014 C 
ATOM     30  C   LIG    1        3.704  -2.901  -2.804  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1        3.299  -3.411  -0.358  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1        3.117  -1.980   0.153  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 7