REMARK  Name = BDB051590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.589   0.792   0.073  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        1.324   0.166   0.115  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1        1.227  -1.214   0.517  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -0.092  -1.562   0.468  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1       -0.760  -0.430   0.051  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        2.261  -2.066   0.891  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        3.508  -1.412   0.840  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.091   0.603  -0.189  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        3.671  -0.047   0.451  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -2.162  -0.270  -0.149  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -2.659   0.972  -0.574  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -4.029   1.153  -0.776  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -4.912   0.099  -0.555  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.427  -1.138  -0.132  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.057  -1.327   0.072  0.00  0.00    +0.028 A 
ENDBRANCH   5  10
BRANCH   1  19
ATOM     16  N   LIG    1        3.903   2.486  -1.028  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        3.950   3.428  -1.399  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        4.407   1.766  -1.525  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1        2.774   2.200  -0.306  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        1.990   3.086  -0.000  0.00  0.00    -0.270 OA
ENDBRANCH   1  19
TORSDOF 2