REMARK  Name = BDB036876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.178  -1.566   0.149  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.174  -0.157  -0.010  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.763   0.874  -0.070  0.00  0.00    +0.253 C 
ATOM      4  O   LIG    1        0.458   2.065  -0.072  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.599   0.217  -0.069  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -2.515  -0.749  -0.843  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.124  -1.555  -1.685  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.862  -0.640  -0.576  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.460  -1.276  -1.086  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.457   0.024   0.466  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.654  -0.114   0.701  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.576   0.950   1.268  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.152   0.426   1.344  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        2.187   0.542  -0.138  0.00  0.00    +0.107 A 
ATOM     15  C   LIG    1        2.731   0.001  -1.298  0.00  0.00    +0.138 A 
ATOM     16  F   LIG    1        1.958  -0.264  -2.360  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        4.095  -0.281  -1.374  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        4.922  -0.009  -0.282  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        4.379   0.544   0.880  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        3.014   0.821   0.945  0.00  0.00    +0.138 A 
ATOM     21  F   LIG    1        2.515   1.333   2.079  0.00  0.00    -0.205 F 
ENDBRANCH   3  14
TORSDOF 2