REMARK  Name = BDB045562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.225   0.783  -1.007  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1       -0.858   0.635   0.311  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -0.870  -0.297   0.708  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.065   1.804  -1.663  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.833  -1.191  -1.047  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -1.808  -0.425  -1.640  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.197  -0.841  -2.834  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -1.568  -2.043  -3.429  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.543  -2.834  -2.831  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.168  -2.414  -1.652  0.00  0.00    +0.024 A 
BRANCH   5  17
ATOM     11  O   LIG    1       -5.367   0.611   3.441  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.900   0.248   2.364  0.00  0.00    +0.222 C 
ATOM     13  N   LIG    1       -4.865  -1.075   2.014  0.00  0.00    -0.240 N 
ATOM     14  H   LIG    1       -5.170  -1.714   2.735  0.00  0.00    +0.159 HD
ATOM     15  C   LIG    1       -4.029  -1.628   1.074  0.00  0.00    +0.313 C 
ATOM     16  O   LIG    1       -3.699  -2.806   1.185  0.00  0.00    -0.252 OA
ATOM     17  N   LIG    1       -3.567  -0.742   0.101  0.00  0.00    -0.254 N 
ATOM     18  C   LIG    1       -4.205   0.573   0.033  0.00  0.00    +0.124 C 
ATOM     19  C   LIG    1       -4.251   1.206   1.406  0.00  0.00    +0.115 C 
ENDBRANCH   5  17
ENDBRANCH   1   6
BRANCH   2  20
ATOM     20  C   LIG    1       -0.088   1.642   1.003  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.383   1.319   0.955  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        1.997   0.615   1.998  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        3.357   0.298   1.935  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        4.124   0.673   0.822  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1        3.511   1.369  -0.229  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        2.150   1.684  -0.160  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  N   LIG    1        5.506   0.338   0.780  0.00  0.00    -0.240 N 
ATOM     28  N   LIG    1        6.093  -0.341   1.803  0.00  0.00    -0.175 NA
ATOM     29  C   LIG    1        7.367  -0.479   1.435  0.00  0.00    +0.135 A 
ATOM     30  C   LIG    1        7.631   0.097   0.186  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1        6.423   0.616  -0.215  0.00  0.00    +0.114 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 5