REMARK  Name = BDB028416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.008   0.255   1.764  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -1.807  -0.481   0.874  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.121  -0.083   0.596  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.638   1.052   1.214  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -5.012   1.476   0.904  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.693   0.705  -0.005  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.641   0.985  -0.235  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.218  -0.407  -0.629  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -5.509   2.465   1.432  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.859   1.787   2.114  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.009  -0.802  -0.352  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.549   1.387   2.387  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        3.616  -1.564   1.387  0.00  0.00    +0.176 C 
ATOM     14  N   LIG    1        2.396  -0.964   1.871  0.00  0.00    -0.236 N 
ATOM     15  C   LIG    1        1.255  -0.706   1.150  0.00  0.00    +0.221 A 
ATOM     16  C   LIG    1        0.361  -0.145   2.049  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1        1.093  -0.063   3.258  0.00  0.00    +0.146 A 
ATOM     18  N   LIG    1        2.332  -0.545   3.151  0.00  0.00    -0.176 NA
BRANCH  15  19
ATOM     19  O   LIG    1        1.177  -1.026  -0.146  0.00  0.00    -0.471 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.075   0.090  -1.037  0.00  0.00    +0.266 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.451   0.476  -1.522  0.00  0.00    -0.009 A 
ATOM     22  C   LIG    1        3.126   1.567  -0.955  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.411   1.896  -1.387  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        5.229   3.236  -0.684  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        5.038   1.145  -2.378  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        4.379   0.053  -2.941  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.093  -0.283  -2.512  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  28
ATOM     28  C   LIG    1       -3.505  -2.053  -1.067  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.637  -1.650  -2.178  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -2.386  -2.483  -2.711  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -3.193  -1.078  -2.819  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 6