REMARK  Name = BDB052826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.076  -0.427  -0.947  0.00  0.00    +0.037 A 
ATOM      2  N   LIG    1       -0.923  -1.205  -0.168  0.00  0.00    -0.340 N 
ATOM      3  C   LIG    1       -0.170  -2.026   0.662  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.175  -1.813   0.350  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.162  -2.576   1.016  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        1.790  -3.504   1.990  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.451  -3.685   2.305  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.546  -2.957   1.649  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.232  -0.793  -0.648  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.426  -0.253  -1.297  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        3.429   0.266  -0.472  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.133   0.888   0.824  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.378   0.976   1.724  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.528   1.614   1.058  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.269   2.570   0.811  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        5.829   0.880  -0.186  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        4.625   0.782  -1.139  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.532  -0.270  -2.522  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.379  -1.171  -0.227  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1       -3.056  -0.617   1.031  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -4.454  -1.212   0.969  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -4.211  -2.632   0.480  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -3.070  -2.515  -0.529  0.00  0.00    +0.025 C 
ENDBRANCH   2  19
BRANCH   1  24
ATOM     24  C   LIG    1       -0.546   0.610  -1.940  0.00  0.00    +0.089 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -2.909   1.945  -3.244  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -2.334   2.447  -1.948  0.00  0.00    -0.012 A 
ATOM     27  C   LIG    1       -1.232   1.822  -1.321  0.00  0.00    -0.036 A 
ATOM     28  C   LIG    1       -0.729   2.382  -0.129  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -1.326   3.498   0.460  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -2.431   4.085  -0.142  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -2.922   3.561  -1.332  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1       -3.987   4.153  -1.894  0.00  0.00    -0.205 F 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 4