REMARK  Name = BDB048848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.936   0.838   0.410  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1       -1.398   2.092   1.007  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1       -0.147   2.330   0.163  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        0.311   0.939  -0.330  0.00  0.00    +0.081 C 
ATOM      5  C   LIG    1       -1.009   0.219  -0.336  0.00  0.00    -0.001 C 
ENDROOT
BRANCH   1  15
ATOM      6  O   LIG    1       -6.096   1.339   2.479  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -5.397   0.668   1.728  0.00  0.00    +0.260 A 
ATOM      8  C   LIG    1       -5.889  -0.564   1.093  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -5.006  -1.258   0.259  0.00  0.00    +0.097 A 
ATOM     10  C   LIG    1       -5.474  -2.436  -0.345  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -6.778  -2.895  -0.119  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -7.639  -2.183   0.716  0.00  0.00    +0.002 A 
ATOM     13 CL   LIG    1       -4.460  -3.370  -1.391  0.00  0.00    -0.081 Cl
ATOM     14  N   LIG    1       -3.693  -0.798   0.031  0.00  0.00    -0.228 NA
ATOM     15  C   LIG    1       -3.298   0.293   0.602  0.00  0.00    +0.137 A 
ATOM     16  C   LIG    1       -7.195  -1.013   1.327  0.00  0.00    +0.015 A 
ATOM     17  N   LIG    1       -4.107   1.021   1.431  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -3.787   1.866   1.878  0.00  0.00    +0.170 HD
ENDBRANCH   1  15
BRANCH   4  19
ATOM     19  N   LIG    1        0.981   0.977  -1.638  0.00  0.00    -0.292 NA
ATOM     20  C   LIG    1        2.109   1.928  -1.695  0.00  0.00    +0.090 C 
ATOM     21  C   LIG    1        3.293   1.567  -0.777  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        3.615   0.093  -0.814  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1        2.781  -0.768  -1.427  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1        1.478  -0.350  -2.055  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.867  -0.375  -0.191  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        4.846  -1.421   0.743  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        6.025  -1.863   1.347  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        7.240  -1.263   1.026  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.276  -0.223   0.101  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.096   0.220  -0.503  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 3