REMARK  Name = BDB031577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.780   0.870   0.085  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -0.093   0.450   0.704  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.359   1.266  -1.164  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1       -1.048   1.979  -1.891  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.050   0.818  -1.579  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1        1.415  -0.568  -1.069  0.00  0.00    -0.032 A 
ATOM      7  C   LIG    1        2.389  -0.755  -0.070  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1        2.665  -2.053   0.387  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        1.974  -3.151  -0.125  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        1.009  -2.967  -1.109  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        3.196   0.395   0.478  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1        2.541   1.754   0.253  0.00  0.00    +0.006 C 
ATOM     13  C   LIG    1        0.732  -1.685  -1.581  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        2.074   1.895  -1.190  0.00  0.00    +0.018 C 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -3.796  -2.000   2.330  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -3.391  -0.956   1.827  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -2.837   0.029   2.603  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -2.745  -0.212   3.581  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -1.993   1.019   2.166  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -1.158   1.505   2.929  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.025   1.348   0.669  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -3.270   0.754   0.010  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.392  -0.726   0.335  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2