REMARK  Name = BDB051895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.327  -0.548  -0.082  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.072   0.553   0.297  0.00  0.00    -0.279 N 
ATOM      3  H   LIG    1        0.587   1.300   0.777  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.798  -1.596  -0.506  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -3.739   2.953   0.547  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1       -4.199   1.525   0.545  0.00  0.00    +0.229 C 
ATOM      7  N   LIG    1       -3.180   0.554   0.384  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1       -3.358  -0.831   0.337  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -2.103  -1.423   0.152  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.024  -2.833   0.062  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -3.180  -3.611   0.157  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.415  -3.007   0.342  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.123  -0.383   0.105  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1       -4.525  -1.617   0.433  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -1.821   0.805   0.240  0.00  0.00    +0.108 A 
ATOM     16  O   LIG    1       -5.370   1.192   0.677  0.00  0.00    -0.273 OA
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1        2.471   0.723   0.199  0.00  0.00    +0.070 A 
ATOM     18  C   LIG    1        3.010   1.874   0.794  0.00  0.00    +0.145 A 
ATOM     19  F   LIG    1        2.191   2.739   1.413  0.00  0.00    -0.204 F 
ATOM     20  C   LIG    1        4.375   2.148   0.761  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        5.235   1.259   0.121  0.00  0.00    +0.018 A 
ATOM     22  C   LIG    1        4.711   0.106  -0.478  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1        3.334  -0.159  -0.453  0.00  0.00    +0.041 A 
BRANCH  22  24
ATOM     24  C   LIG    1        5.602  -0.834  -1.191  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        5.381  -1.241  -2.316  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        6.670  -1.193  -0.449  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        6.629  -0.916   0.486  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   2  17
TORSDOF 4