REMARK  Name = BDB027943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.647  -0.253   0.158  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        0.700   0.143   0.028  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.777  -0.764  -0.026  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1        1.449  -2.120   0.088  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.129  -2.544   0.261  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.907  -1.614   0.310  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        3.085  -0.340  -0.181  0.00  0.00    -0.325 N 
ATOM      8  C   LIG    1        3.420   0.999  -0.691  0.00  0.00    +0.133 C 
ATOM      9  C   LIG    1        4.813   0.980  -1.344  0.00  0.00    +0.178 C 
ATOM     10  O   LIG    1        5.870   0.578  -0.462  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1        5.431  -0.303   0.582  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1        4.230  -1.184   0.197  0.00  0.00    +0.133 C 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  N   LIG    1       -1.621   0.747   0.268  0.00  0.00    -0.333 N 
ATOM     14  H   LIG    1       -1.335   1.590  -0.241  0.00  0.00    +0.147 HD
BRANCH  13  21
ATOM     15  O   LIG    1       -7.044   1.384   0.527  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.863   1.086   0.376  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -5.066   1.776  -0.501  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -5.492   2.582  -0.938  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.704   1.668  -0.645  0.00  0.00    +0.239 C 
ATOM     20  O   LIG    1       -3.072   2.504  -1.290  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -3.039   0.447   0.021  0.00  0.00    +0.158 C 
ATOM     22  C   LIG    1       -3.747   0.173   1.345  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -5.225  -0.079   1.093  0.00  0.00    +0.098 C 
ENDBRANCH  13  21
ENDBRANCH   1  13
TORSDOF 3