REMARK  Name = BDB011691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.040  -0.305  -0.131  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -2.398  -0.880  -0.224  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.562  -2.169  -0.763  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.827  -2.759  -0.860  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -4.935  -2.051  -0.420  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -4.805  -0.772   0.109  0.00  0.00    +0.039 A 
ATOM      7  F   LIG    1       -6.151  -2.605  -0.509  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -1.373  -2.906  -1.254  0.00  0.00    +0.257 A 
ATOM      9  O   LIG    1       -1.461  -4.033  -1.725  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1       -0.168  -2.253  -1.159  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1        0.628  -2.753  -1.538  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -3.540  -0.185   0.206  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        0.008  -0.994  -0.633  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1        1.386  -0.464  -0.636  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        1.688   0.741  -1.291  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        2.993   1.187  -1.264  0.00  0.00    +0.167 A 
ATOM     17  O   LIG    1        3.454   2.329  -1.840  0.00  0.00    -0.453 OA
ATOM     18  C   LIG    1        4.854   2.260  -1.499  0.00  0.00    +0.466 C 
ATOM     19  O   LIG    1        5.197   1.097  -0.717  0.00  0.00    -0.453 OA
ATOM     20  C   LIG    1        3.987   0.484  -0.625  0.00  0.00    +0.166 A 
ATOM     21  C   LIG    1        3.733  -0.703   0.025  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        2.418  -1.181   0.015  0.00  0.00    +0.014 A 
ENDBRANCH  13  14
BRANCH   1  23
ATOM     23  O   LIG    1       -0.940   0.967   0.400  0.00  0.00    -0.488 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -0.600   0.926   1.795  0.00  0.00    +0.244 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -0.422   2.368   2.280  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -0.057   2.439   3.694  0.00  0.00    -0.327 NA
ATOM     27  H   LIG    1        0.046   3.418   3.962  0.00  0.00    +0.118 HD
ATOM     28  H   LIG    1        0.862   2.016   3.830  0.00  0.00    +0.118 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 5