REMARK  Name = BDB054071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.105   0.090   0.430  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -2.836   0.489  -0.185  0.00  0.00    -0.298 NA
ATOM      3  C   LIG    1       -2.563  -0.306  -1.396  0.00  0.00    +0.119 C 
ATOM      4  C   LIG    1       -2.167  -1.740  -1.112  0.00  0.00    -0.032 A 
ATOM      5  C   LIG    1       -0.855  -2.038  -0.697  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -0.435  -3.354  -0.475  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -1.391  -4.373  -0.618  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -2.702  -4.095  -1.012  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        0.864  -3.710  -0.093  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        1.081  -4.696  -0.107  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        2.059  -3.004   0.017  0.00  0.00    +0.220 A 
ATOM     12  N   LIG    1        2.100  -1.666   0.012  0.00  0.00    -0.214 NA
ATOM     13  C   LIG    1        3.305  -1.063   0.093  0.00  0.00    +0.076 A 
ATOM     14  C   LIG    1        4.479  -1.780   0.185  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1        4.343  -3.143   0.200  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        3.281   0.406   0.101  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.443   1.096   0.993  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        2.427   2.489   1.018  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        3.253   3.227   0.176  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1        4.081   2.562  -0.725  0.00  0.00    +0.004 A 
ATOM     21  O   LIG    1        1.663   3.127   1.955  0.00  0.00    -0.492 OA
ATOM     22  C   LIG    1        0.413   3.574   1.409  0.00  0.00    +0.233 C 
ATOM     23  C   LIG    1       -0.684   2.544   1.689  0.00  0.00    +0.068 C 
ATOM     24  C   LIG    1       -2.062   3.134   1.575  0.00  0.00    -0.026 C 
ATOM     25  C   LIG    1       -2.985   2.840   0.644  0.00  0.00    -0.016 C 
ATOM     26  C   LIG    1        4.095   1.164  -0.762  0.00  0.00    +0.010 A 
ATOM     27  N   LIG    1        3.157  -3.772   0.119  0.00  0.00    -0.223 NA
ATOM     28  C   LIG    1       -3.086  -2.783  -1.268  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.825   1.916  -0.533  0.00  0.00    +0.111 C 
ENDROOT
TORSDOF 0