REMARK  Name = BDB029349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.153   0.067  -0.713  0.00  0.00    +0.228 A 
ATOM      2  C   LIG    1       -2.897   1.188  -0.366  0.00  0.00    +0.098 A 
ATOM      3  C   LIG    1       -2.556   1.834   0.828  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.507   1.359   1.625  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.796   0.225   1.187  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        0.260  -0.221   1.998  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1        0.581   0.394   3.213  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -0.133   1.511   3.626  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.170   1.996   2.833  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -1.106  -0.394   0.020  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -4.028   1.752  -1.151  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1       -4.657   2.724  -0.745  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -4.359   1.175  -2.342  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.864   0.374  -2.715  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -5.127   1.568  -2.870  0.00  0.00    +0.145 HD
ENDBRANCH   2  11
BRANCH   1  17
ATOM     16  C   LIG    1       -1.885  -1.910  -1.965  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1       -2.467  -0.611  -1.876  0.00  0.00    -0.479 OA
ENDBRANCH   1  17
BRANCH   6  18
ATOM     18  O   LIG    1        0.949  -1.346   1.606  0.00  0.00    -0.488 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.328  -1.103   1.280  0.00  0.00    +0.251 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.500  -0.175   0.060  0.00  0.00    +0.117 C 
ATOM     21  N   LIG    1        1.741  -0.621  -1.079  0.00  0.00    -0.304 N 
ATOM     22  H   LIG    1        0.724  -0.684  -1.075  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.507  -1.402  -1.935  0.00  0.00    +0.283 C 
ATOM     24  O   LIG    1        2.054  -2.047  -2.867  0.00  0.00    -0.269 OA
ATOM     25  C   LIG    1        3.954  -1.327  -1.451  0.00  0.00    +0.324 C 
ATOM     26  F   LIG    1        4.341  -2.446  -0.780  0.00  0.00    -0.195 F 
ATOM     27  F   LIG    1        4.874  -1.105  -2.422  0.00  0.00    -0.195 F 
ATOM     28  C   LIG    1        3.927  -0.152  -0.478  0.00  0.00    +0.111 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 5