REMARK  Name = BDB016236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.752  -0.269  -0.156  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        0.297   0.650  -0.142  0.00  0.00    +0.093 A 
ATOM      3  C   LIG    1        1.633   0.246   0.018  0.00  0.00    +0.145 A 
ATOM      4  O   LIG    1        2.499   1.302   0.034  0.00  0.00    -0.487 OA
ATOM      5  C   LIG    1        3.711   1.106   0.757  0.00  0.00    +0.179 C 
ATOM      6  C   LIG    1        4.659   0.302  -0.105  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1        4.460  -1.162   0.138  0.00  0.00    +0.221 C 
ATOM      8  N   LIG    1        3.214  -1.695   0.217  0.00  0.00    -0.282 N 
ATOM      9  H   LIG    1        3.256  -2.702   0.325  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        5.429  -1.921   0.225  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        4.279   2.498   1.026  0.00  0.00    +0.052 C 
ATOM     12  C   LIG    1        1.935  -1.115   0.125  0.00  0.00    +0.076 A 
ATOM     13  C   LIG    1        0.870  -2.034   0.123  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -0.460  -1.619  -0.014  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  15
ATOM     15  O   LIG    1       -1.994   0.278  -0.308  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.107  -0.617  -0.319  0.00  0.00    +0.232 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -5.600  -0.730  -0.641  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -4.397   0.199  -0.494  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -4.610   1.163   0.676  0.00  0.00    +0.010 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 3