REMARK  Name = BDB028293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.200  -0.624  -0.821  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.531  -0.750  -0.393  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.515   0.119  -0.882  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.163   1.116  -1.788  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.196   2.045  -2.273  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.461   1.859  -1.770  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.186   2.492  -2.092  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.843   0.887  -0.898  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -2.932   2.932  -3.076  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.841   1.244  -2.226  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.942   0.048  -0.474  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.137   0.371  -1.746  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        3.852  -2.529   1.361  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        2.607  -2.351   0.648  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        2.005  -1.161   0.296  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1        0.808  -1.531  -0.306  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        0.809  -2.942  -0.278  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1        1.905  -3.444   0.289  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1        2.564   0.156   0.594  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        1.906   1.014   1.485  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        2.431   2.278   1.766  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        3.614   2.687   1.155  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        4.263   4.242   1.500  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        4.275   1.845   0.262  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        3.749   0.581  -0.019  0.00  0.00    +0.011 A 
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  26
ATOM     26  C   LIG    1       -4.405  -1.041   0.490  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.027  -0.666   1.854  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -4.478   0.226   2.075  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -4.432  -1.340   2.504  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 4