REMARK  Name = BDB030856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.335  -0.796   1.343  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -0.833  -1.218   2.555  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.131  -0.835   2.800  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -2.872  -0.094   1.954  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.291   0.293   0.815  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.045  -0.037   0.476  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.455   0.954  -0.418  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.349  -0.440  -0.354  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        3.138  -0.991   0.093  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        2.046  -0.213   0.475  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        1.007  -1.108   0.881  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        1.479  -2.393   0.694  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1        2.167   1.188   0.403  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        2.769  -2.308   0.238  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1        3.365  -3.095   0.019  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1        3.370   1.754  -0.043  0.00  0.00    +0.024 A 
BRANCH   7  18
ATOM     17  C   LIG    1        6.801   1.083  -1.267  0.00  0.00    +0.404 C 
ATOM     18  N   LIG    1        5.616   1.619  -0.850  0.00  0.00    -0.251 N 
ATOM     19  H   LIG    1        5.606   2.629  -0.866  0.00  0.00    +0.158 HD
ATOM     20  O   LIG    1        7.108  -0.096  -1.355  0.00  0.00    -0.226 OA
BRANCH  17  22
ATOM     21  C   LIG    1        8.923   1.696  -2.044  0.00  0.00    +0.282 C 
ATOM     22  O   LIG    1        7.634   2.111  -1.587  0.00  0.00    -0.453 OA
ENDBRANCH  17  22
ENDBRANCH   7  18
ENDBRANCH   1  11
BRANCH   2  23
ATOM     23  C   LIG    1       -0.074  -2.019   3.546  0.00  0.00    +0.421 C 
ATOM     24  F   LIG    1       -0.691  -2.067   4.764  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        1.175  -1.545   3.804  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        0.076  -3.321   3.177  0.00  0.00    -0.166 F 
ENDBRANCH   2  23
BRANCH   5  27
ATOM     27  N   LIG    1       -2.976   1.069  -0.103  0.00  0.00    -0.309 N 
ATOM     28  H   LIG    1       -2.457   1.009  -0.973  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -4.414   0.838  -0.203  0.00  0.00    +0.087 C 
ATOM     30  C   LIG    1       -4.740  -0.566  -0.788  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -6.033  -0.686  -1.489  0.00  0.00    -0.314 NA
ATOM     32  H   LIG    1       -5.881  -0.529  -2.486  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -6.991   0.302  -0.999  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -6.523   1.728  -1.294  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -5.014   1.921  -1.108  0.00  0.00    +0.025 C 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 6