REMARK  Name = BDB016186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.200   1.832   1.562  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.843   1.758   0.078  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.703   0.894  -0.126  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.916   1.331  -0.621  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.696  -0.488  -0.316  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -2.822  -1.336  -0.208  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.653  -2.736  -0.228  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.404  -3.321  -0.403  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.290  -2.510  -0.542  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -4.169  -0.937  -0.098  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.849  -1.656   0.114  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.777   0.250  -0.348  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.001   0.328  -0.212  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.415  -1.112  -0.480  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -3.987   1.417  -0.845  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.818  -0.314  -0.585  0.00  0.00    +0.098 A 
ATOM     17  C   LIG    1        2.043  -0.481   0.117  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.471  -1.459   1.155  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1        3.739  -0.968   1.883  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        4.793  -0.417   0.903  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1        4.266   0.782   0.089  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        2.873   0.514  -0.354  0.00  0.00    +0.043 A 
ATOM     23  N   LIG    1        2.145   1.220  -1.261  0.00  0.00    -0.271 N 
ATOM     24  C   LIG    1        2.558   2.367  -2.032  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        0.892   0.748  -1.413  0.00  0.00    -0.171 NA
ENDBRANCH  14  16
TORSDOF 1