REMARK  Name = BDB035037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.303  -1.594   1.665  0.00  0.00    +0.249 C 
ATOM      2  N   LIG    1       -1.017  -1.502   1.212  0.00  0.00    -0.282 N 
ATOM      3  O   LIG    1        0.776  -2.590   2.205  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      4  C   LIG    1        4.057   3.691   2.184  0.00  0.00    +0.046 C 
ATOM      5  C   LIG    1        3.725   2.781   1.035  0.00  0.00    -0.020 A 
ATOM      6  C   LIG    1        2.888   1.683   1.228  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1        2.641   0.879   0.089  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1        1.807  -0.211   0.252  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1        1.208  -0.456   1.484  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        1.528   0.354   2.553  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1        3.155   1.119  -1.134  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1        3.944   2.190  -1.283  0.00  0.00    +0.117 A 
ATOM     13  N   LIG    1        2.354   1.419   2.446  0.00  0.00    -0.252 NA
ATOM     14  C   LIG    1        4.260   3.036  -0.235  0.00  0.00    +0.048 A 
BRANCH  12  15
ATOM     15  N   LIG    1        4.470   2.405  -2.552  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        4.076   1.695  -3.165  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        4.281   3.341  -2.888  0.00  0.00    +0.144 HD
ENDBRANCH  12  15
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  C   LIG    1       -1.868  -2.700   1.429  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1       -2.501  -2.684   2.826  0.00  0.00    +0.036 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -2.903  -2.939   0.328  0.00  0.00    +0.149 A 
ATOM     21  N   LIG    1       -4.131  -2.391   0.459  0.00  0.00    -0.238 NA
ATOM     22  C   LIG    1       -5.002  -2.605  -0.545  0.00  0.00    +0.114 A 
ATOM     23  C   LIG    1       -4.698  -3.326  -1.674  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -3.421  -3.828  -1.727  0.00  0.00    +0.114 A 
ATOM     25  N   LIG    1       -2.508  -3.641  -0.756  0.00  0.00    -0.238 NA
ENDBRANCH  18  20
ENDBRANCH   2  18
BRANCH   2  26
ATOM     26  C   LIG    1       -1.689  -0.204   1.009  0.00  0.00    +0.164 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.295   0.533  -0.254  0.00  0.00    +0.059 A 
ATOM     28  N   LIG    1       -0.871   1.815  -0.100  0.00  0.00    -0.257 NA
ATOM     29  C   LIG    1       -0.457   2.475  -1.209  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1       -0.456   1.920  -2.476  0.00  0.00    +0.036 A 
ATOM     31 BR   LIG    1        0.166   2.900  -3.960  0.00  0.00    -0.049 Br
ATOM     32  C   LIG    1       -0.918   0.619  -2.627  0.00  0.00    +0.018 A 
ATOM     33  C   LIG    1       -1.347  -0.085  -1.502  0.00  0.00    +0.026 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 6