REMARK  Name = BDB028372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.572  -1.108   2.236  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1       -0.649  -1.159   3.612  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -1.837  -1.308   4.423  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1        0.542  -1.037   4.228  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1        1.403  -0.861   3.225  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        0.776  -0.911   1.963  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1        1.346  -0.744   0.642  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.991   0.457   0.315  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.511   0.650  -0.970  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.411  -0.371  -1.911  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        2.987  -0.173  -3.250  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        3.605   1.034  -3.471  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        4.010   1.189  -4.389  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        3.696   2.062  -2.584  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        2.916  -1.044  -4.110  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.779  -1.578  -1.589  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.174   1.907  -1.401  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        1.243  -1.762  -0.313  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        3.273   3.083  -0.435  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        4.376   2.842   0.499  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        5.239   2.767  -0.044  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        4.494   3.668   1.084  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  25
ATOM     23  C   LIG    1       -3.323  -0.284  -0.287  0.00  0.00    -0.011 A 
ATOM     24  C   LIG    1       -2.215  -0.123   0.588  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1       -1.728  -1.218   1.339  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1       -2.343  -2.470   1.210  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -3.423  -2.639   0.349  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -3.907  -1.561  -0.396  0.00  0.00    +0.045 A 
ATOM     29 CL   LIG    1       -5.237  -1.881  -1.453  0.00  0.00    -0.083 Cl
BRANCH  23  31
ATOM     30  C   LIG    1       -3.127   0.980  -2.459  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -3.835   0.882  -1.115  0.00  0.00    +0.034 C 
ENDBRANCH  23  31
BRANCH  24  32
ATOM     32  C   LIG    1       -1.577   1.163   0.712  0.00  0.00    +0.100 C 
ATOM     33  N   LIG    1       -1.073   2.206   0.791  0.00  0.00    -0.191 NA
ENDBRANCH  24  32
ENDBRANCH   1  25
TORSDOF 6