REMARK  Name = BDB016375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.204  -1.474   0.422  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -1.369  -0.804  -0.085  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.401   0.589   0.035  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.756   0.940   0.740  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.593   1.405  -0.083  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.175   1.307  -1.471  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.000   0.082  -1.677  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.534  -1.147  -1.351  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.182  -1.861  -1.659  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.113   0.160  -2.208  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.567   1.176   1.070  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.351  -1.593  -0.728  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.201  -2.996  -0.772  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.085  -3.634  -0.246  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.087  -2.874   0.338  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        2.966   0.556   0.895  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        1.911  -0.135   0.292  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        0.907  -0.746   1.067  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1        0.978  -0.653   2.464  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.022   0.037   3.075  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.010   0.638   2.293  0.00  0.00    +0.023 A 
BRANCH  16  24
ATOM     22  C   LIG    1        5.419   2.018  -1.570  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        4.190   1.232  -1.186  0.00  0.00    +0.214 C 
ATOM     24  N   LIG    1        4.007   1.190   0.184  0.00  0.00    -0.286 N 
ATOM     25  H   LIG    1        4.702   1.662   0.748  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        3.473   0.734  -2.045  0.00  0.00    -0.276 OA
ENDBRANCH  16  24
ENDBRANCH   1  18
TORSDOF 2