REMARK  Name = BDB014580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.216   2.854   1.839  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        2.926   1.975   3.408  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1        1.791   1.760   2.978  0.00  0.00    +0.217 C 
ATOM      4  N   LIG    1        1.080   2.825   2.506  0.00  0.00    -0.313 N 
ATOM      5  H   LIG    1        1.601   3.693   2.543  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        1.167   0.372   2.995  0.00  0.00    +0.131 C 
BRANCH   6   7
ATOM      7  C   LIG    1        2.006  -0.673   2.293  0.00  0.00    -0.035 A 
ATOM      8  C   LIG    1        1.608  -1.184   1.046  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        2.407  -2.137   0.449  0.00  0.00    +0.166 A 
ATOM     10  O   LIG    1        2.172  -2.731  -0.751  0.00  0.00    -0.453 OA
ATOM     11  C   LIG    1        3.325  -3.594  -0.856  0.00  0.00    +0.466 C 
ATOM     12  O   LIG    1        4.198  -3.530   0.291  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        3.562  -2.591   1.041  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1        3.986  -2.116   2.261  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        3.198  -1.147   2.890  0.00  0.00    +0.008 A 
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.091   2.569   0.333  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1        0.698   3.608  -0.261  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        1.618   3.448   0.017  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.496   2.512  -0.315  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.534   2.337  -1.782  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -0.853   1.132  -2.276  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -1.601  -0.157  -2.022  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -3.002  -0.156  -1.871  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -3.678  -1.368  -1.677  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -2.974  -2.571  -1.651  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.592  -2.575  -1.820  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.767   1.145  -1.861  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -0.909  -1.374  -2.014  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.915   2.349  -2.300  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7