REMARK  Name = BDB053966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.533  -0.189   0.859  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1        1.430   0.321   0.152  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.141  -0.213   0.371  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        0.011  -1.238   1.312  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -1.318  -1.583   1.364  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -1.700  -2.297   1.967  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.055  -0.829   0.486  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -3.431  -0.842   0.208  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -4.538  -1.663   0.812  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -5.649  -1.480  -0.231  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.431  -0.100  -0.872  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -3.950   0.045  -0.746  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -3.102   0.912  -1.381  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -3.356   1.938  -2.390  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -4.437   2.215  -2.868  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -2.151   2.498  -2.672  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -2.018   3.232  -3.348  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -1.134   1.937  -1.959  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1        0.041   2.230  -2.034  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -1.737   0.915  -1.106  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        1.093  -1.755   2.034  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -1.165   0.047  -0.161  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        2.358  -1.212   1.792  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  29
ATOM     24  O   LIG    1        7.452   1.933  -0.420  0.00  0.00    -0.274 OA
ATOM     25  C   LIG    1        6.367   1.408  -0.182  0.00  0.00    +0.233 C 
ATOM     26  N   LIG    1        5.228   2.144   0.021  0.00  0.00    -0.207 N 
ATOM     27  H   LIG    1        5.294   3.150  -0.100  0.00  0.00    +0.177 HD
ATOM     28  N   LIG    1        3.982   1.643   0.252  0.00  0.00    -0.184 NA
ATOM     29  C   LIG    1        3.881   0.396   0.606  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1        5.103  -0.471   0.819  0.00  0.00    +0.067 C 
ATOM     31  C   LIG    1        6.177  -0.083  -0.172  0.00  0.00    +0.104 C 
ENDBRANCH   1  29
TORSDOF 1