REMARK  Name = BDB014993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.932   0.462   1.701  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.963   0.245   2.817  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1        2.181  -1.157   3.030  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1        1.292  -1.562   3.038  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1        3.300   0.971   2.552  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1        3.878   0.808   1.199  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1        4.291  -0.594   0.959  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1        5.094  -0.789  -0.314  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        5.727   0.293  -0.948  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1        6.481   0.078  -2.110  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        6.628  -1.209  -2.624  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        6.020  -2.288  -1.987  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.540   1.688  -0.411  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        5.259  -2.080  -0.837  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        5.047   1.692   1.041  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -0.307  -0.104   2.154  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.377  -0.003   1.308  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -2.575  -0.506   1.817  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -3.746  -0.468   1.057  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.741   0.076  -0.234  0.00  0.00    -0.044 A 
ATOM     21  C   LIG    1       -2.534   0.579  -0.739  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.361   0.540   0.025  0.00  0.00    +0.046 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.998   0.130  -1.083  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1       -6.095   0.996  -0.445  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1       -7.354   1.000  -1.309  0.00  0.00    +0.081 C 
ATOM     26  N   LIG    1       -7.839  -0.358  -1.554  0.00  0.00    -0.316 NA
ATOM     27  H   LIG    1       -8.678  -0.318  -2.132  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -6.829  -1.178  -2.224  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1       -5.548  -1.270  -1.398  0.00  0.00    +0.023 C 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7