REMARK  Name = BDB060326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.345  -1.303  -0.028  0.00  0.00    +0.080 C 
ATOM      2  C   LIG    1       -0.266  -2.140   1.114  0.00  0.00    +0.028 C 
ATOM      3  C   LIG    1       -1.642  -1.541   1.385  0.00  0.00    +0.039 C 
ATOM      4  C   LIG    1       -2.021  -1.000   0.036  0.00  0.00    -0.026 C 
ATOM      5  C   LIG    1       -0.922  -0.879  -0.729  0.00  0.00    -0.003 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.388  -0.664  -0.318  0.00  0.00    +0.046 A 
ATOM      7  N   LIG    1       -3.692  -0.539  -1.651  0.00  0.00    -0.322 N 
ATOM      8  H   LIG    1       -2.978  -0.696  -2.348  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -4.924  -0.205  -2.158  0.00  0.00    +0.257 A 
ATOM     10  O   LIG    1       -5.118  -0.103  -3.364  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -6.007   0.020  -1.173  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -5.736  -0.151   0.199  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -6.785   0.011   1.131  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -8.033   0.457   0.668  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1       -8.268   0.628  -0.692  0.00  0.00    +0.126 A 
ATOM     16  F   LIG    1       -9.480   1.024  -1.104  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -7.272   0.399  -1.624  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1       -4.356  -0.486   0.598  0.00  0.00    +0.036 A 
BRANCH  13  19
ATOM     19  N   LIG    1       -6.582  -0.059   2.522  0.00  0.00    -0.357 N 
ATOM     20  H   LIG    1       -7.438  -0.176   3.058  0.00  0.00    +0.142 HD
ATOM     21  H   LIG    1       -5.876  -0.729   2.807  0.00  0.00    +0.142 HD
ENDBRANCH  13  19
ENDBRANCH   4   6
BRANCH   1  25
ATOM     22  N   LIG    1        4.075   0.427   0.062  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        3.182   0.261  -1.097  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        1.719   0.615  -0.738  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        1.130  -0.132   0.400  0.00  0.00    -0.293 NA
ATOM     26  C   LIG    1        2.188  -0.494   1.374  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1        3.423   0.438   1.380  0.00  0.00    +0.120 C 
BRANCH  22  31
ATOM     28  C   LIG    1        8.140   1.488  -0.460  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1        7.479   1.797   0.727  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.132   1.445   0.896  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        5.403   0.782  -0.105  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1        6.100   0.480  -1.288  0.00  0.00    +0.024 A 
ATOM     33  C   LIG    1        7.446   0.825  -1.470  0.00  0.00    +0.020 A 
BRANCH  28  35
ATOM     34  N   LIG    1       10.632   2.131  -0.781  0.00  0.00    -0.191 NA
ATOM     35  C   LIG    1        9.517   1.843  -0.637  0.00  0.00    +0.099 C 
ENDBRANCH  28  35
ENDBRANCH  22  31
ENDBRANCH   1  25
TORSDOF 5