REMARK  Name = BDB016235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.316  -2.075  -0.475  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -3.526  -0.828  -0.088  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -2.358  -0.824  -0.906  0.00  0.00    -0.487 OA
ATOM      4  C   LIG    1       -1.331  -0.033  -0.480  0.00  0.00    +0.145 A 
ATOM      5  C   LIG    1       -1.405   1.134   0.287  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -0.203   1.769   0.647  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        1.041   1.283   0.228  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        1.109   0.149  -0.569  0.00  0.00    +0.124 A 
ATOM      9  N   LIG    1       -2.571   1.778   0.740  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -2.448   2.600   1.319  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -3.888   1.539   0.510  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -4.719   2.295   1.021  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.079  -0.499  -0.913  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1       -4.324   0.422  -0.387  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   8  15
ATOM     15  O   LIG    1        2.240  -0.440  -1.055  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        3.492   0.230  -0.901  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.152  -0.194   0.377  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        5.655  -0.181   0.501  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1        4.917  -1.491   0.447  0.00  0.00    +0.007 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 3