REMARK  Name = BDB000053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.116  -0.480  -0.837  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -1.476  -0.220  -0.735  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -2.378  -0.373   0.405  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -3.619   0.029  -0.010  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -3.602   0.420  -1.318  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -4.514   0.847  -1.998  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -2.034  -0.817   1.485  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -2.230   0.257  -1.792  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -1.682   0.501  -3.034  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.321   0.231  -3.187  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        0.446  -0.257  -2.105  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -4.786   0.049   0.861  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -5.293   1.485   0.987  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -4.561   2.420   1.312  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.610   1.706   0.676  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.918   2.666   0.762  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.410   0.929  -0.121  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.474   1.363  -0.554  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.896  -0.443  -0.484  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.875  -0.962   0.511  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        0.615  -0.966   0.258  0.00  0.00    -0.314 N 
ATOM     22  H   LIG    1        0.029  -1.164   1.075  0.00  0.00    +0.152 HD
BRANCH  21  25
ATOM     23  C   LIG    1        1.779  -2.917   2.039  0.00  0.00    +0.045 C 
ATOM     24  C   LIG    1        2.568  -1.765   1.475  0.00  0.00    -0.029 A 
ATOM     25  C   LIG    1        1.974  -0.819   0.617  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        2.764   0.235   0.126  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        4.121   0.364   0.457  0.00  0.00    +0.041 A 
ATOM     28  N   LIG    1        4.923   1.444  -0.025  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        6.309   1.458   0.119  0.00  0.00    +0.220 C 
ATOM     30  C   LIG    1        6.938   0.183   0.631  0.00  0.00    +0.101 C 
ATOM     31  C   LIG    1        6.122  -0.419   1.751  0.00  0.00    +0.046 C 
ATOM     32  O   LIG    1        7.023   2.401  -0.225  0.00  0.00    -0.275 OA
ATOM     33  C   LIG    1        4.288   2.576  -0.683  0.00  0.00    +0.138 C 
ATOM     34  C   LIG    1        4.697  -0.584   1.310  0.00  0.00    -0.025 A 
ATOM     35  C   LIG    1        3.920  -1.631   1.824  0.00  0.00    +0.010 A 
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 3