REMARK  Name = BDB058294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.376  -1.114   0.005  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1       -0.276  -0.416   0.368  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.188  -2.341  -0.279  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1        0.377  -3.302  -0.793  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        4.300   0.321  -0.606  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        3.999  -1.008  -0.923  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        2.704  -1.508  -0.730  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        1.696  -0.688  -0.221  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        2.000   0.641   0.098  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.292   1.143  -0.091  0.00  0.00    +0.017 A 
BRANCH   5  11
ATOM     11  C   LIG    1        5.658   0.900  -0.789  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1        5.969   2.017  -0.406  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        6.463   0.028  -1.444  0.00  0.00    -0.461 OA
BRANCH  13  15
ATOM     14  C   LIG    1        7.846   1.289  -2.983  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        7.801   0.481  -1.698  0.00  0.00    +0.229 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -1.636  -2.454   0.174  0.00  0.00    +0.111 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.513  -1.277  -0.268  0.00  0.00    +0.094 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.204  -0.023   0.457  0.00  0.00    -0.297 NA
ATOM     19  C   LIG    1       -2.787   0.004   1.819  0.00  0.00    +0.119 C 
ATOM     20  C   LIG    1       -4.275   0.278   1.884  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -4.945   0.909   0.821  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -6.316   1.180   0.924  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.014   0.848   2.085  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.350   0.241   3.148  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.208   1.238  -0.453  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -4.987  -0.040   3.050  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.683   1.163  -0.284  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 7