REMARK  Name = BDB055933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.854   0.406  -0.724  0.00  0.00    -0.314 N 
ATOM      2  H   LIG    1       -2.171   1.256  -1.188  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.714  -0.667  -1.093  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -4.050  -0.738  -0.628  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -4.846  -1.718  -1.246  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -6.204  -1.796  -0.963  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1       -6.732  -2.489  -1.473  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -6.879  -0.957  -0.126  0.00  0.00    +0.258 A 
ATOM      9  C   LIG    1       -6.073   0.033   0.629  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -6.732   0.830   1.580  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -6.008   1.711   2.373  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.629   1.776   2.230  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.976   0.982   1.276  0.00  0.00    +0.009 A 
ATOM     14  O   LIG    1       -8.096  -1.033   0.012  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -4.429  -2.608  -2.172  0.00  0.00    -0.237 NA
ATOM     16  C   LIG    1       -3.148  -2.525  -2.558  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1       -4.679   0.114   0.420  0.00  0.00    -0.000 A 
ATOM     18  C   LIG    1       -2.275  -1.573  -2.074  0.00  0.00    +0.043 A 
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        2.361   0.419  -0.211  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        1.626  -0.736   0.045  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.235  -0.749  -0.131  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -0.447   0.383  -0.590  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        0.290   1.551  -0.808  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        1.679   1.566  -0.632  0.00  0.00    +0.025 A 
BRANCH  19  27
ATOM     25  O   LIG    1        4.347  -1.628   0.596  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1        4.646  -0.470   0.322  0.00  0.00    +0.251 C 
ATOM     27  N   LIG    1        3.760   0.521  -0.063  0.00  0.00    -0.281 N 
ATOM     28  H   LIG    1        4.153   1.432  -0.272  0.00  0.00    +0.155 HD
BRANCH  26  29
ATOM     29  C   LIG    1        6.089  -0.082   0.404  0.00  0.00    +0.072 A 
ATOM     30  C   LIG    1        6.558   1.200   0.104  0.00  0.00    +0.135 A 
ATOM     31  F   LIG    1        5.716   2.172  -0.282  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        7.914   1.514   0.196  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        8.827   0.539   0.593  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1        8.380  -0.745   0.896  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        7.020  -1.055   0.802  0.00  0.00    +0.016 A 
ENDBRANCH  26  29
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 4