REMARK  Name = BDB028317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.026  -0.688   0.273  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.982   0.090  -0.409  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.153   0.518   0.235  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.372   0.169   1.564  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.602   0.620   2.234  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.462   1.372   1.473  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.316   1.694   1.918  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.278   1.733   0.174  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.833   0.334   3.403  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.434  -0.601   2.258  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.193   1.342  -0.432  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.270  -1.024   1.615  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        2.636  -1.189  -0.581  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        1.471  -0.782   0.085  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.201  -1.129  -0.400  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        0.168  -1.907  -1.556  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        1.263  -2.335  -2.227  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        2.463  -1.963  -1.727  0.00  0.00    +0.119 A 
BRANCH  13  20
ATOM     19  C   LIG    1        4.447   0.511  -0.094  0.00  0.00    +0.061 A 
ATOM     20  C   LIG    1        3.975  -0.821  -0.097  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.832  -1.831   0.382  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        6.113  -1.530   0.851  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        6.558  -0.212   0.848  0.00  0.00    +0.042 A 
ATOM     24 CL   LIG    1        8.134   0.159   1.425  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        5.735   0.808   0.379  0.00  0.00    +0.039 A 
BRANCH  19  27
ATOM     26  N   LIG    1        2.987   2.479  -0.954  0.00  0.00    -0.191 NA
ATOM     27  C   LIG    1        3.638   1.595  -0.578  0.00  0.00    +0.100 C 
ENDBRANCH  19  27
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1       -3.977   1.743  -1.895  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.104   2.539  -2.395  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -5.210   3.346  -1.775  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -5.960   2.005  -2.224  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5