REMARK  Name = BDB016399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.493   2.199  -1.827  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.019   1.320  -0.688  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.940   0.448  -0.253  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.316   0.191  -1.018  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.230  -0.677   0.547  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.340  -0.781   1.422  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.529  -1.965   2.165  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.626  -3.020   2.108  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.502  -2.907   1.307  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.336   0.189   1.662  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.099  -0.086   2.268  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.479   1.484   1.289  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.480   2.095   1.681  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.278  -1.752   0.534  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.438   2.184   0.480  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.045  -1.709  -0.281  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1        1.000  -0.820   0.043  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        2.188  -0.733  -0.703  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        2.294  -1.596  -1.805  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        1.276  -2.492  -2.147  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.112  -2.547  -1.389  0.00  0.00    +0.009 A 
BRANCH  18  22
ATOM     22  N   LIG    1        3.194   0.158  -0.376  0.00  0.00    -0.325 N 
ATOM     23  C   LIG    1        4.580  -0.022  -0.834  0.00  0.00    +0.133 C 
ATOM     24  C   LIG    1        5.557   0.614   0.170  0.00  0.00    +0.178 C 
ATOM     25  O   LIG    1        5.350   2.018   0.378  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1        3.984   2.422   0.203  0.00  0.00    +0.178 C 
ATOM     27  C   LIG    1        2.957   1.316   0.502  0.00  0.00    +0.133 C 
ENDBRANCH  18  22
ENDBRANCH  14  16
TORSDOF 2