REMARK  Name = BDB053702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.284   0.623   0.679  0.00  0.00    +0.041 A 
ATOM      2  N   LIG    1       -0.984   1.487  -0.214  0.00  0.00    -0.312 N 
ATOM      3  C   LIG    1       -0.115   2.477  -0.680  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1        1.165   2.197  -0.031  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        2.216   2.997  -0.232  0.00  0.00    +0.096 A 
ATOM      6  N   LIG    1        2.085   4.074  -1.076  0.00  0.00    -0.328 N 
ATOM      7  H   LIG    1        2.872   4.691  -1.242  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1        0.920   4.407  -1.734  0.00  0.00    +0.251 A 
ATOM      9  O   LIG    1        0.844   5.373  -2.485  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -0.257   3.533  -1.489  0.00  0.00    +0.096 A 
ATOM     11  C   LIG    1        1.009   1.016   0.795  0.00  0.00    +0.067 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        2.038   0.390   1.642  0.00  0.00    +0.249 C 
ATOM     13  N   LIG    1        3.112  -0.206   1.009  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1        4.167  -0.792   1.838  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        5.492  -0.952   1.073  0.00  0.00    +0.100 C 
ATOM     16  N   LIG    1        5.402  -1.704  -0.190  0.00  0.00    -0.313 NA
ATOM     17  H   LIG    1        5.694  -2.670  -0.040  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        4.042  -1.702  -0.753  0.00  0.00    +0.100 C 
ATOM     19  C   LIG    1        3.234  -0.431  -0.439  0.00  0.00    +0.123 C 
ATOM     20  O   LIG    1        1.903   0.409   2.864  0.00  0.00    -0.270 OA
ENDBRANCH  11  12
BRANCH   2  21
ATOM     21  C   LIG    1       -2.365   1.432  -0.516  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1       -3.333   1.512   0.495  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -4.695   1.453   0.190  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.108   1.317  -1.133  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.161   1.244  -2.152  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.800   1.306  -1.845  0.00  0.00    +0.026 A 
ENDBRANCH   2  21
BRANCH   1  27
ATOM     27  C   LIG    1       -0.898  -0.579   1.354  0.00  0.00    +0.090 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -3.333  -2.165   2.126  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -2.632  -2.385   0.815  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1       -1.494  -1.636   0.432  0.00  0.00    -0.036 A 
ATOM     31  C   LIG    1       -0.876  -1.936  -0.799  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.395  -2.908  -1.657  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -2.535  -3.612  -1.292  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -3.139  -3.348  -0.069  0.00  0.00    +0.127 A 
ATOM     35  F   LIG    1       -4.233  -4.051   0.262  0.00  0.00    -0.205 F 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 4