REMARK  Name = BDB049822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.442  -0.039  -0.422  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -4.112   0.329  -0.148  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.823   0.881   1.100  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.477   1.136   1.059  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -1.934   1.592   1.777  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1       -1.982   0.712  -0.152  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1       -4.782   1.093   2.094  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -6.096   0.715   1.801  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.958   0.222  -0.893  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -6.427   0.157   0.564  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -6.593  -1.732  -1.694  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -6.659  -2.294  -0.858  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -6.724  -2.195  -2.584  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.813  -0.606  -1.732  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -5.475  -0.106  -2.794  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  C   LIG    1       -0.591   0.804  -0.567  0.00  0.00    +0.280 C 
ATOM     17  N   LIG    1        0.317   0.619   0.471  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1       -0.017   0.099   1.270  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -0.222   1.014  -1.718  0.00  0.00    -0.267 OA
BRANCH  17  20
ATOM     20  C   LIG    1        1.753   0.567   0.203  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1        2.167  -0.774  -0.403  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1        3.668  -0.789  -0.720  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1        4.476   0.028   0.200  0.00  0.00    -0.294 NA
ATOM     24  C   LIG    1        3.889   0.099   1.534  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        2.552   0.846   1.486  0.00  0.00    +0.037 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.895  -0.415   0.241  0.00  0.00    +0.198 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.690  -0.459  -1.081  0.00  0.00    +0.402 C 
ATOM     28  F   LIG    1        6.208  -1.397  -1.927  0.00  0.00    -0.169 F 
ATOM     29  F   LIG    1        7.985  -0.774  -0.833  0.00  0.00    -0.169 F 
ATOM     30  F   LIG    1        6.680   0.730  -1.720  0.00  0.00    -0.169 F 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  17  20
ENDBRANCH   6  16
TORSDOF 5