REMARK  Name = BDB060587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.846  -0.862  -0.630  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        1.055  -0.010  -1.637  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1       -0.450  -0.298  -1.560  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1       -0.927  -0.611  -0.134  0.00  0.00    +0.072 C 
ATOM      5  C   LIG    1       -0.013  -0.033   0.949  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1        1.420  -0.563   0.826  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        7.819   0.936   1.220  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        7.381  -0.347   0.562  0.00  0.00    +0.213 C 
ATOM      9  N   LIG    1        6.054  -0.440   0.182  0.00  0.00    -0.299 N 
ATOM     10  C   LIG    1        5.574  -1.695  -0.395  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        4.055  -1.869  -0.227  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1        3.294  -0.782  -0.864  0.00  0.00    -0.296 NA
ATOM     13  C   LIG    1        3.914   0.543  -0.692  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        5.059   0.622   0.341  0.00  0.00    +0.123 C 
ATOM     15  O   LIG    1        8.189  -1.258   0.379  0.00  0.00    -0.276 OA
ENDBRANCH   1  12
BRANCH   4  16
ATOM     16  N   LIG    1       -2.338  -0.297   0.080  0.00  0.00    -0.326 N 
ATOM     17  H   LIG    1       -2.970  -0.984  -0.305  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.844   0.992  -0.034  0.00  0.00    +0.132 A 
ATOM     19  C   LIG    1       -4.234   1.266  -0.088  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1       -4.587   2.605  -0.205  0.00  0.00    +0.143 A 
ATOM     21  N   LIG    1       -5.946   2.699  -0.233  0.00  0.00    -0.345 N 
ATOM     22  H   LIG    1       -6.446   3.573  -0.308  0.00  0.00    +0.167 HD
ATOM     23  C   LIG    1       -6.498   1.454  -0.118  0.00  0.00    +0.089 A 
ATOM     24  N   LIG    1       -3.771   3.665  -0.276  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1       -2.488   3.292  -0.206  0.00  0.00    +0.225 A 
ATOM     26  C   LIG    1       -5.475   0.520  -0.033  0.00  0.00    -0.015 A 
ATOM     27  N   LIG    1       -1.994   2.047  -0.091  0.00  0.00    -0.220 NA
BRANCH  26  28
ATOM     28  C   LIG    1       -5.646  -0.974   0.127  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -5.479  -1.393   1.589  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -6.985  -1.494  -0.411  0.00  0.00    +0.012 C 
ENDBRANCH  26  28
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4