REMARK  Name = BDB037089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.844   0.220   0.651  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        1.698  -0.570   0.652  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        1.657  -1.778   0.777  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.552   0.340   0.478  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1        1.061   1.630   0.305  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        0.210   2.704   0.115  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -1.166   2.459   0.095  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -1.681   1.152   0.258  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -3.172   0.938   0.221  0.00  0.00    +0.049 C 
ATOM     10  C   LIG    1       -3.547  -0.552   0.051  0.00  0.00    +0.011 C 
ATOM     11  C   LIG    1       -3.381  -1.022  -1.417  0.00  0.00    +0.025 C 
ATOM     12  C   LIG    1       -4.455  -0.456  -2.349  0.00  0.00    +0.081 C 
ATOM     13  N   LIG    1       -5.806  -0.736  -1.865  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1       -5.949  -1.747  -1.852  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -6.014  -0.205  -0.519  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1       -5.014  -0.791   0.477  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1       -2.611  -1.347   0.978  0.00  0.00    +0.236 C 
ATOM     18  O   LIG    1       -1.234  -1.208   0.629  0.00  0.00    -0.490 OA
ATOM     19  C   LIG    1       -0.807   0.077   0.473  0.00  0.00    +0.136 A 
ATOM     20  C   LIG    1        2.551   1.610   0.345  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  27
ATOM     21  O   LIG    1        8.185  -0.396  -0.386  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        7.002  -0.482  -0.071  0.00  0.00    +0.219 C 
ATOM     23  N   LIG    1        6.035  -0.726  -1.013  0.00  0.00    -0.255 N 
ATOM     24  H   LIG    1        6.373  -0.737  -1.966  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        4.701  -0.410  -0.884  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1        4.023  -0.174  -1.881  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1        4.178  -0.360   0.561  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1        5.194   0.377   1.429  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        6.533  -0.342   1.358  0.00  0.00    +0.098 C 
ENDBRANCH   1  27
TORSDOF 1