REMARK  Name = BDB012452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.767  -4.226  -2.703  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.558  -3.306  -1.914  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1        0.651  -3.340  -1.060  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.584  -2.300  -1.149  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.776  -2.349  -0.413  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1        3.003  -3.446   0.431  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        2.077  -4.492   0.504  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.785  -1.228  -0.529  0.00  0.00    +0.182 C 
ATOM      9  N   LIG    1        3.393  -0.047   0.229  0.00  0.00    -0.225 N 
ATOM     10  N   LIG    1        2.425   0.758  -0.344  0.00  0.00    -0.168 NA
ATOM     11  C   LIG    1        1.986   1.762   0.348  0.00  0.00    +0.092 A 
ATOM     12  C   LIG    1        2.469   2.116   1.700  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        3.398   1.323   2.233  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1        0.885   2.596  -0.204  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -0.174   1.942  -0.855  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -1.302   2.651  -1.287  0.00  0.00    -0.045 A 
ATOM     17  C   LIG    1       -1.302   4.048  -1.125  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -0.226   4.710  -0.528  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.537   2.011  -1.888  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1       -2.662   0.480  -1.995  0.00  0.00    +0.130 C 
ATOM     21  N   LIG    1       -2.430  -0.321  -0.808  0.00  0.00    -0.311 N 
ATOM     22  C   LIG    1       -1.665  -1.476  -0.786  0.00  0.00    +0.203 A 
ATOM     23  N   LIG    1       -1.345  -1.794   0.446  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -2.050  -0.939   1.248  0.00  0.00    +0.091 A 
ATOM     25  C   LIG    1       -2.114  -0.893   2.648  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1       -2.945   0.054   3.256  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.699   0.935   2.482  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.640   0.910   1.083  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -2.792  -0.034   0.490  0.00  0.00    +0.070 A 
ATOM     30  C   LIG    1        0.866   3.985  -0.057  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1        3.912   0.149   1.500  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1        4.755  -0.564   2.042  0.00  0.00    -0.266 OA
ATOM     33  C   LIG    1        0.906  -4.450  -0.255  0.00  0.00    +0.013 A 
ATOM     34  N   LIG    1       -1.348  -2.179  -1.928  0.00  0.00    -0.252 N 
ATOM     35  H   LIG    1       -2.002  -2.140  -2.696  0.00  0.00    +0.158 HD
ENDROOT
TORSDOF 0