REMARK  Name = BDB027185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.206   0.711   1.137  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        3.268   0.278   0.207  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        2.175  -0.711   0.280  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        1.474  -0.657  -0.918  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        2.170   0.139  -1.907  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        1.956  -1.455   1.217  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        3.253   0.778  -1.107  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        4.173   1.720  -1.538  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        5.124   2.168  -0.626  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.139   1.671   0.688  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        3.386  -0.494   3.135  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        3.566  -0.831   4.070  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        2.671  -0.987   2.602  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.338   0.290   2.561  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        5.297   0.657   3.235  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1        0.482  -1.640  -1.316  0.00  0.00    +0.109 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.751  -1.735  -0.405  0.00  0.00    +0.027 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.814  -0.628  -0.610  0.00  0.00    +0.021 C 
ATOM     19  C   LIG    1       -3.115  -0.837   0.164  0.00  0.00    -0.041 A 
ATOM     20  C   LIG    1       -4.066   0.204   0.118  0.00  0.00    -0.044 A 
ATOM     21  C   LIG    1       -5.311   0.061   0.741  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.613  -1.107   1.435  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.676  -2.135   1.502  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.710   1.466  -0.622  0.00  0.00    +0.035 C 
ATOM     25  C   LIG    1       -2.303   1.901  -0.227  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -3.438  -2.004   0.869  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -1.254   0.782  -0.322  0.00  0.00    +0.008 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 4