REMARK  Name = BDB031281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.384   0.611   0.858  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1       -1.193  -0.068  -0.036  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.734  -0.521  -0.816  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.752   1.341   1.771  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.604  -0.127  -0.038  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -3.402   0.449   0.959  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -4.766   0.307   0.829  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1       -5.350  -0.376  -0.233  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1       -6.729  -0.335  -0.065  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -7.433  -0.737  -0.662  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -7.018   0.376   1.109  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1       -8.124   0.606   1.564  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1       -4.601  -0.956  -1.226  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1       -5.787   0.768   1.654  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -5.689   1.298   2.504  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -3.210  -0.825  -1.117  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  20
ATOM     17  C   LIG    1        3.861   0.228   0.234  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        3.303   1.417   0.722  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        1.924   1.528   0.923  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        1.081   0.452   0.630  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        1.634  -0.745   0.165  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        3.017  -0.851  -0.037  0.00  0.00    +0.024 A 
BRANCH  17  25
ATOM     23  C   LIG    1        7.496  -0.512  -0.453  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        6.025  -0.847  -0.427  0.00  0.00    +0.214 C 
ATOM     25  N   LIG    1        5.259   0.199   0.057  0.00  0.00    -0.286 N 
ATOM     26  H   LIG    1        5.756   1.044   0.313  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        5.625  -1.948  -0.788  0.00  0.00    -0.276 OA
ENDBRANCH  17  25
ENDBRANCH   1  20
TORSDOF 3