REMARK  Name = BDB050458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.540  -0.256  -0.786  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1       -1.604  -0.256  -2.182  0.00  0.00    +0.235 A 
ATOM      3  F   LIG    1       -2.523   0.526  -2.774  0.00  0.00    -0.182 F 
ATOM      4  N   LIG    1       -0.809  -0.986  -2.991  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1        0.114  -1.762  -2.381  0.00  0.00    +0.119 A 
ATOM      6  C   LIG    1        0.280  -1.842  -1.000  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -0.584  -1.079  -0.199  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1       -1.753   0.249   2.118  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.503   0.763   1.292  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1       -2.442   0.569  -0.072  0.00  0.00    -0.282 N 
ATOM     11  H   LIG    1       -3.090   1.090  -0.655  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1       -3.600   1.715   1.747  0.00  0.00    +0.090 C 
ATOM     13  C   LIG    1       -4.996   1.264   1.320  0.00  0.00    +0.093 C 
ATOM     14  N   LIG    1       -5.570   2.361   0.528  0.00  0.00    -0.315 NA
ATOM     15  H   LIG    1       -5.383   2.214  -0.464  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -4.886   3.574   0.979  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1       -3.454   3.130   1.198  0.00  0.00    +0.029 C 
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   6  18
ATOM     18  C   LIG    1        1.334  -2.734  -0.388  0.00  0.00    +0.163 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.702  -2.315  -0.698  0.00  0.00    -0.289 N 
ATOM     20  C   LIG    1        3.352  -1.279   0.044  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1        4.645  -0.880  -0.317  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        5.322   0.137   0.371  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        4.709   0.772   1.446  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.428   0.386   1.827  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.313  -1.547  -1.445  0.00  0.00    +0.262 A 
ATOM     26  O   LIG    1        6.435  -1.228  -1.819  0.00  0.00    -0.267 OA
ATOM     27  N   LIG    1        4.606  -2.546  -2.052  0.00  0.00    -0.274 N 
ATOM     28  H   LIG    1        5.048  -3.002  -2.835  0.00  0.00    +0.173 HD
ATOM     29  C   LIG    1        2.757  -0.630   1.135  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        3.335  -2.946  -1.759  0.00  0.00    +0.330 A 
ATOM     31  O   LIG    1        2.810  -3.824  -2.443  0.00  0.00    -0.246 OA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 4