REMARK  Name = BDB037052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.069   0.948   1.483  0.00  0.00    +0.056 A 
ATOM      2  N   LIG    1        1.774   0.009   0.798  0.00  0.00    -0.245 NA
ATOM      3  C   LIG    1        2.896   0.466   0.219  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1        3.834  -0.343  -0.583  0.00  0.00    +0.266 C 
ATOM      5  N   LIG    1        4.916   0.486  -0.897  0.00  0.00    -0.280 N 
ATOM      6  C   LIG    1        4.627   1.874  -0.536  0.00  0.00    +0.146 C 
ATOM      7  O   LIG    1        3.680  -1.503  -0.919  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        3.375   1.762   0.258  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        2.654   2.711   0.951  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        1.478   2.292   1.578  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.931   0.116  -1.891  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.959   1.237  -2.119  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        6.689   2.272  -2.728  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        8.164   1.115  -1.468  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        8.790   1.905  -1.552  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        8.495   0.205  -0.497  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        9.483   0.373   0.210  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.550  -0.956  -0.304  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.689  -1.171  -1.540  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.216   0.495   2.158  0.00  0.00    +0.140 C 
BRANCH  20  25
ATOM     21  C   LIG    1       -5.346  -0.317   0.506  0.00  0.00    +0.403 C 
ATOM     22  N   LIG    1       -4.095   0.168   0.824  0.00  0.00    -0.265 N 
ATOM     23  C   LIG    1       -3.936   1.099   1.936  0.00  0.00    +0.126 C 
ATOM     24  C   LIG    1       -2.554   0.949   2.593  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1       -1.423   1.194   1.670  0.00  0.00    -0.294 NA
ATOM     26  C   LIG    1       -1.756   0.824   0.274  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1       -2.876  -0.220   0.113  0.00  0.00    +0.126 C 
ATOM     28  O   LIG    1       -6.369   0.022   1.087  0.00  0.00    -0.226 OA
BRANCH  21  29
ATOM     29  O   LIG    1       -5.298  -1.212  -0.513  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -6.018  -2.770  -2.138  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -6.503  -1.848  -1.009  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -7.168  -2.708   0.071  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -7.472  -0.819  -1.602  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 5