REMARK  Name = BDB036922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.965  -0.986  -0.917  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1        0.125   0.013  -0.962  0.00  0.00    -0.153 NA
ATOM      3  N   LIG    1       -1.214  -0.223  -0.715  0.00  0.00    -0.216 N 
ATOM      4  C   LIG    1       -1.704  -1.451  -0.301  0.00  0.00    +0.268 A 
ATOM      5  O   LIG    1       -2.859  -1.665   0.056  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1       -0.750  -2.574  -0.326  0.00  0.00    +0.075 A 
ATOM      7  C   LIG    1        0.531  -2.370  -0.629  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.058   0.977  -0.689  0.00  0.00    +0.197 C 
ATOM      9  C   LIG    1       -3.388   0.763  -1.417  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1       -3.463   0.435  -2.601  0.00  0.00    -0.273 OA
ATOM     11  N   LIG    1       -4.533   0.921  -0.671  0.00  0.00    -0.255 N 
ATOM     12  H   LIG    1       -5.396   0.748  -1.167  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1       -4.645   0.935   0.695  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -5.747   0.864   1.236  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -3.365   0.995   1.492  0.00  0.00    +0.099 C 
ATOM     16  C   LIG    1       -2.227   1.604   0.695  0.00  0.00    +0.045 C 
ENDBRANCH   3   8
BRANCH   1  17
ATOM     17  N   LIG    1        2.281  -0.681  -1.171  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1        2.370   0.330  -1.291  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.389  -1.189  -0.370  0.00  0.00    +0.131 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.564  -0.351   0.905  0.00  0.00    +0.178 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.139   1.322   0.268  0.00  0.00    +0.194 C 
ATOM     22  O   LIG    1        3.789   1.032   0.606  0.00  0.00    -0.381 OA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5