REMARK  Name = BDB051303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.799   2.424  -2.155  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.896   1.608  -2.014  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.279   1.324  -0.684  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -3.866   1.906   0.441  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -3.336   1.694   1.711  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -2.190   0.900   1.810  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -1.559   0.306   0.712  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -0.396  -0.387   1.225  0.00  0.00    -0.021 A 
ATOM      9  C   LIG    1       -0.403  -0.214   2.596  0.00  0.00    +0.087 A 
ATOM     10  N   LIG    1       -1.476   0.559   2.933  0.00  0.00    -0.360 N 
ATOM     11  H   LIG    1       -1.711   0.854   3.871  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -2.129   0.496  -0.580  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -1.548  -0.082  -1.851  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -2.624  -0.285  -2.909  0.00  0.00    +0.109 C 
ATOM     15  N   LIG    1       -3.409   0.909  -3.092  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -3.945   1.038  -3.941  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  17
ATOM     17  C   LIG    1        0.623  -1.153   0.421  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.940  -1.462   1.154  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.882  -2.330   0.425  0.00  0.00    -0.310 NA
ATOM     20  H   LIG    1        2.431  -3.229   0.258  0.00  0.00    +0.122 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.330  -1.799  -0.867  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.060  -0.513  -0.717  0.00  0.00    +0.093 A 
ATOM     23  N   LIG    1        3.533   0.673  -1.189  0.00  0.00    -0.220 NA
ATOM     24  C   LIG    1        4.444   1.564  -0.867  0.00  0.00    +0.307 A 
ATOM     25  O   LIG    1        5.539   1.069  -0.229  0.00  0.00    -0.450 OA
ATOM     26  C   LIG    1        5.284  -0.266  -0.135  0.00  0.00    +0.221 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 5