REMARK  Name = BDB028286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.849   0.434  -0.314  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -0.370  -0.233  -0.113  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -1.550   0.498   0.088  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.508   1.889   0.080  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -2.752   2.648   0.289  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -3.888   1.902   0.483  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.756   2.409   0.630  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -3.964   0.544   0.499  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -2.760   3.874   0.287  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.300   2.562  -0.127  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.871  -0.141   0.315  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.875   1.835  -0.325  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        5.479  -1.372   0.044  0.00  0.00    +0.174 C 
ATOM     14  N   LIG    1        4.112  -1.125  -0.348  0.00  0.00    -0.255 N 
ATOM     15  C   LIG    1        3.245  -0.196   0.153  0.00  0.00    +0.134 A 
ATOM     16 CL   LIG    1        3.725   0.832   1.425  0.00  0.00    -0.062 Cl
ATOM     17  C   LIG    1        2.059  -0.331  -0.530  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        2.314  -1.398  -1.424  0.00  0.00    +0.144 A 
ATOM     19  N   LIG    1        3.556  -1.882  -1.320  0.00  0.00    -0.178 NA
ENDBRANCH   1  17
BRANCH  11  20
ATOM     20  C   LIG    1       -2.947  -1.672   0.332  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.322  -2.130   0.563  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1       -4.649  -1.697   1.431  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -4.916  -1.695  -0.147  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 3