REMARK  Name = BDB043936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.418   3.213  -0.397  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.859   1.923  -0.085  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.195   0.775  -0.558  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1       -0.051   0.956  -1.367  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1        0.387   2.250  -1.682  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.292   3.372  -1.200  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.732  -0.170  -1.892  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        1.643  -0.876  -1.208  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1        2.157  -0.776   0.161  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        3.058  -1.839   0.306  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        3.746  -2.081   1.479  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        3.516  -1.209   2.546  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        2.622  -0.133   2.408  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1        2.362   0.924   3.743  0.00  0.00    -0.084 Cl
ATOM     15  N   LIG    1        3.148  -2.574  -0.872  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1        3.730  -3.383  -1.025  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        1.938   0.098   1.210  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        2.324  -2.053  -1.856  0.00  0.00    +0.249 C 
ATOM     19  O   LIG    1        2.180  -2.459  -2.993  0.00  0.00    -0.270 OA
ENDBRANCH   4   7
BRANCH   3  20
ATOM     20  C   LIG    1       -1.707  -0.556  -0.185  0.00  0.00    -0.017 A 
ATOM     21  C   LIG    1       -2.226  -1.431  -1.152  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.696  -2.699  -0.796  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -2.661  -3.111   0.539  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1       -2.157  -2.247   1.515  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1       -1.687  -0.980   1.155  0.00  0.00    +0.010 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -3.139  -4.411   0.906  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1       -3.524  -5.464   1.207  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH   3  20
BRANCH   1  29
ATOM     28  C   LIG    1       -1.772   5.552  -0.153  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -2.171   4.219   0.142  0.00  0.00    -0.495 OA
ENDBRANCH   1  29
TORSDOF 4