REMARK  Name = BDB016387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.619   0.537   2.409  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.097   1.372   1.242  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.064   0.686   0.490  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.187   0.639   1.009  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.277  -0.469  -0.274  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.526  -0.894  -0.786  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.605  -2.089  -1.533  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.478  -2.845  -1.832  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.239  -2.412  -1.394  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.776  -0.261  -0.629  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.585  -0.764  -0.971  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.149   0.941  -0.130  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.353   1.214  -0.111  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.115  -1.235  -0.632  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.142   1.946   0.318  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.249  -0.841  -0.219  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        1.894   0.248  -0.833  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        3.171   0.588  -0.420  0.00  0.00    -0.002 A 
ATOM     19  C   LIG    1        4.035   1.710  -0.846  0.00  0.00    +0.080 C 
ATOM     20  C   LIG    1        5.346   1.261  -0.200  0.00  0.00    +0.234 C 
ATOM     21  O   LIG    1        5.055   0.354   0.889  0.00  0.00    -0.491 OA
ATOM     22  C   LIG    1        3.805  -0.121   0.586  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1        3.203  -1.186   1.220  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        1.918  -1.550   0.807  0.00  0.00    +0.012 A 
ENDBRANCH  14  16
TORSDOF 1