REMARK  Name = BDB036794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.178   0.276   0.077  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1        0.100   1.189  -0.278  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.771  -0.598   0.561  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        0.448  -1.644   1.113  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.527   0.204  -0.972  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.382   0.132  -0.535  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.713   1.257  -0.124  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.199   2.126  -0.299  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.355   1.368   0.048  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.801   2.466   0.018  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.601   0.055   0.288  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.160  -1.014  -0.646  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.650  -1.182  -0.390  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        2.201  -0.221   0.394  0.00  0.00    +0.107 A 
ATOM     15  C   LIG    1        3.198  -0.986   1.007  0.00  0.00    +0.138 A 
ATOM     16  F   LIG    1        2.901  -2.052   1.763  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        4.550  -0.663   0.864  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        4.931   0.438   0.101  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        3.952   1.211  -0.517  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        2.603   0.879  -0.368  0.00  0.00    +0.138 A 
ATOM     21  F   LIG    1        1.704   1.659  -0.988  0.00  0.00    -0.205 F 
ENDBRANCH   3  14
TORSDOF 2