REMARK  Name = BDB057090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.671   0.784  -0.945  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        2.410   0.361   0.173  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        1.127   0.355   0.691  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        0.937  -0.396   1.337  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        3.301  -0.150   1.091  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        2.957  -0.197   2.038  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.003   0.815  -0.117  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1       -1.171   1.191   0.800  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -2.489   1.199   0.033  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -2.819  -0.093  -0.589  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1       -1.663  -0.985  -0.755  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -0.412  -0.220  -1.177  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -3.920  -0.795   0.096  0.00  0.00    +0.122 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.263  -0.125  -0.070  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.118   0.023   1.026  0.00  0.00    +0.128 A 
ATOM     16  F   LIG    1       -5.735  -0.404   2.238  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -7.374   0.610   0.893  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -7.801   1.054  -0.357  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -6.969   0.904  -1.467  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.711   0.314  -1.326  0.00  0.00    +0.008 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  21
ATOM     21  C   LIG    1        4.676  -0.395   0.907  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        5.317  -0.331  -0.332  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        6.693  -0.600  -0.450  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        7.425  -0.929   0.700  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        6.791  -1.004   1.938  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.423  -0.741   2.039  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.367  -0.504  -1.797  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        8.571  -1.143  -1.839  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.619   0.783  -2.163  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.628  -1.047  -2.804  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH   5  21
TORSDOF 5