REMARK  Name = BDB000994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.773   0.076  -0.359  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.078   1.257  -0.479  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1       -0.447   2.123  -0.845  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.199   1.062  -0.016  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        1.231  -0.273   0.376  0.00  0.00    +0.101 A 
ATOM      6  C   LIG    1        2.425  -0.799   0.906  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.543   0.052   1.019  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        3.486   1.400   0.624  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        2.295   1.924   0.086  0.00  0.00    +0.040 A 
ATOM     10  N   LIG    1        0.002  -0.866   0.151  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.379   0.220  -2.276  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.223  -0.067  -0.779  0.00  0.00    +0.075 C 
ATOM     13  N   LIG    1       -2.696  -1.447  -0.537  0.00  0.00    -0.305 NA
ATOM     14  H   LIG    1       -1.883  -2.067  -0.518  0.00  0.00    +0.123 HD
ATOM     15  C   LIG    1       -3.344  -1.447   0.772  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -4.105  -0.141   0.762  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -3.148   0.823   0.074  0.00  0.00    +0.031 C 
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  C   LIG    1        2.541  -2.209   1.345  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        3.593  -2.654   1.789  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        1.432  -2.996   1.238  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        1.487  -3.964   1.516  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        0.563  -2.630   0.856  0.00  0.00    +0.145 HD
ENDBRANCH   6  18
BRANCH   8  23
ATOM     23  C   LIG    1        4.716   2.272   0.743  0.00  0.00    +0.418 C 
ATOM     24  F   LIG    1        5.446   2.018   1.863  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        4.421   3.602   0.786  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        5.565   2.113  -0.308  0.00  0.00    -0.166 F 
ENDBRANCH   8  23
TORSDOF 3