REMARK  Name = BDB037038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.184  -0.220   0.505  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        2.376  -0.850  -0.711  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.372  -0.860  -1.406  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.107  -1.496  -1.063  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        0.163  -1.167  -0.089  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -1.143  -1.635  -0.189  0.00  0.00    -0.028 A 
ATOM      7  C   LIG    1       -1.453  -2.443  -1.302  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.486  -2.765  -2.273  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.817  -2.286  -2.159  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.792  -0.277   0.930  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        6.639   1.867  -0.768  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        5.617   1.480  -0.206  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        4.490   2.259  -0.202  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        4.552   3.108  -0.745  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        3.258   1.975   0.328  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        2.298   2.715   0.112  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        3.127   0.690   1.145  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        4.468   0.080   1.549  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        5.539   0.138   0.476  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1       -2.207  -1.292   0.827  0.00  0.00    +0.120 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.278  -0.451   0.274  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -4.407  -0.371   1.225  0.00  0.00    +0.100 C 
ATOM     23  C   LIG    1       -5.539   0.547   0.717  0.00  0.00    +0.096 C 
ATOM     24  N   LIG    1       -5.071   1.908   0.417  0.00  0.00    -0.314 NA
ATOM     25  H   LIG    1       -5.830   2.435  -0.013  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.944   1.836  -0.526  0.00  0.00    +0.096 C 
ATOM     27  C   LIG    1       -2.805   0.918  -0.029  0.00  0.00    +0.100 C 
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 3