REMARK  Name = BDB027053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.743  -1.118  -0.330  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.525  -2.478   0.328  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.887  -2.713   1.665  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.662  -3.958   2.256  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.071  -4.983   1.521  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        0.295  -4.766   0.194  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        0.070  -3.522  -0.399  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1        0.121  -0.047   0.379  0.00  0.00    +0.186 C 
ATOM      9  O   LIG    1       -0.306   0.549   1.374  0.00  0.00    -0.290 OA
BRANCH   8  16
ATOM     10  N   LIG    1        3.683   0.615   0.078  0.00  0.00    -0.346 N 
ATOM     11  C   LIG    1        3.435   0.440  -1.266  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        2.060   0.194  -1.405  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        1.550   0.041  -2.715  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        2.409   0.095  -3.819  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.769   0.312  -3.646  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        1.492   0.190  -0.085  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        4.303   0.494  -2.370  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        2.523   0.491   0.788  0.00  0.00    +0.098 A 
BRANCH  10  20
ATOM     19  C   LIG    1        5.306   2.374   0.685  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1        4.978   0.891   0.678  0.00  0.00    +0.118 C 
ENDBRANCH  10  20
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  N   LIG    1       -2.184  -0.765  -0.314  0.00  0.00    -0.303 NA
ATOM     22  H   LIG    1       -2.436  -0.482   0.636  0.00  0.00    +0.123 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.562   0.285  -1.265  0.00  0.00    +0.086 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.638   1.713  -0.695  0.00  0.00    +0.050 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.673   1.892   0.393  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1       -3.278   2.127   1.718  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.232   2.287   2.725  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.587   2.216   2.412  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -6.763   2.413   3.653  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -5.996   1.987   1.101  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -5.042   1.827   0.094  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8