REMARK  Name = BDB053234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.053  -0.049  -3.100  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -2.962  -0.089  -1.604  0.00  0.00    +0.017 A 
ATOM      3  N   LIG    1       -4.147  -0.174  -0.921  0.00  0.00    -0.326 N 
ATOM      4  H   LIG    1       -5.026  -0.208  -1.426  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1       -4.264  -0.205   0.447  0.00  0.00    +0.257 A 
ATOM      6  O   LIG    1       -5.360  -0.275   0.993  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -2.997  -0.151   1.221  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -1.761  -0.079   0.542  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -0.567  -0.038   1.307  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -0.661  -0.067   2.708  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -1.895  -0.132   3.358  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.066  -0.175   2.617  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -1.798  -0.040  -0.936  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   9  14
ATOM     14  N   LIG    1        0.696   0.004   0.658  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        0.686  -0.030  -0.349  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        1.942   0.182   1.233  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        2.188   0.435   2.405  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.082   0.100   0.277  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        4.171   0.961   0.457  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        5.254   0.912  -0.423  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.256  -0.003  -1.476  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.182  -0.877  -1.647  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        3.096  -0.832  -0.771  0.00  0.00    +0.013 A 
ENDBRANCH  16  18
ENDBRANCH   9  14
TORSDOF 2