REMARK  Name = BDB058194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.029  -0.446  -0.610  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1        1.085   0.828  -1.021  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.085   1.459  -1.064  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1       -0.252   2.801  -1.497  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -1.629   3.155  -1.063  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -2.398   1.835  -0.851  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -1.564   4.025   0.211  0.00  0.00    +0.182 C 
ATOM      8  O   LIG    1       -0.819   5.242   0.027  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1        0.268   5.120  -0.913  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1        0.823   3.692  -1.036  0.00  0.00    +0.135 C 
ATOM     11  C   LIG    1       -1.276   0.877  -0.689  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -1.258  -0.435  -0.293  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1       -0.094  -1.107  -0.257  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        4.570  -2.781  -0.585  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1        3.405  -3.338  -0.930  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1        2.305  -2.542  -0.909  0.00  0.00    +0.125 A 
ATOM     17  C   LIG    1        2.290  -1.191  -0.557  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        3.528  -0.638  -0.178  0.00  0.00    +0.070 A 
ATOM     19  C   LIG    1        4.677  -1.452  -0.214  0.00  0.00    +0.056 A 
BRANCH  18  20
ATOM     20  C   LIG    1        3.672   0.792   0.280  0.00  0.00    +0.418 C 
ATOM     21  F   LIG    1        2.710   1.187   1.161  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        4.849   1.001   0.949  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        3.684   1.698  -0.734  0.00  0.00    -0.166 F 
ENDBRANCH  18  20
BRANCH  14  24
ATOM     24  N   LIG    1        5.694  -3.596  -0.645  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1        6.206  -3.603   0.229  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        5.373  -4.527  -0.901  0.00  0.00    +0.144 HD
ENDBRANCH  14  24
ENDBRANCH   1  17
BRANCH  12  27
ATOM     27  N   LIG    1       -2.454  -1.069   0.103  0.00  0.00    -0.315 N 
ATOM     28  C   LIG    1       -2.512  -2.489  -0.299  0.00  0.00    +0.106 C 
ATOM     29  C   LIG    1       -2.203  -3.429   0.863  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -3.187  -3.230   2.017  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -3.720  -1.798   2.092  0.00  0.00    +0.019 C 
ATOM     32  C   LIG    1       -2.707  -0.802   1.534  0.00  0.00    +0.106 C 
ENDBRANCH  12  27
TORSDOF 4