REMARK  Name = BDB047331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.993  -0.461   0.004  0.00  0.00    +0.070 C 
ENDROOT
BRANCH   1  12
ATOM      2  O   LIG    1        3.869   3.218   0.264  0.00  0.00    -0.273 OA
ATOM      3  C   LIG    1        3.716   2.002   0.353  0.00  0.00    +0.244 C 
ATOM      4  C   LIG    1        4.896   1.078   0.558  0.00  0.00    +0.111 C 
ATOM      5  C   LIG    1        4.739  -0.026  -0.473  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        5.882  -1.026  -0.353  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1        7.221  -0.298  -0.482  0.00  0.00    +0.083 C 
ATOM      8  N   LIG    1        7.339   0.788   0.491  0.00  0.00    -0.315 NA
ATOM      9  H   LIG    1        8.232   1.269   0.364  0.00  0.00    +0.122 HD
ATOM     10  N   LIG    1        3.451  -0.653  -0.248  0.00  0.00    -0.331 N 
ATOM     11  H   LIG    1        3.273  -1.526  -0.736  0.00  0.00    +0.147 HD
ATOM     12  C   LIG    1        2.377   0.161   0.026  0.00  0.00    +0.088 C 
ATOM     13  C   LIG    1        6.244   1.763   0.378  0.00  0.00    +0.095 C 
ATOM     14  N   LIG    1        2.466   1.419   0.322  0.00  0.00    -0.170 NA
ENDBRANCH   1  12
BRANCH   1  15
ATOM     15  C   LIG    1        0.612  -0.924   1.406  0.00  0.00    +0.023 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.608  -1.854   1.467  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.919  -1.367   1.041  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -2.170  -1.418  -0.398  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1       -3.675  -1.260  -0.693  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -4.314  -0.159   0.118  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1       -3.661   0.385   1.162  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1       -2.303  -0.076   1.616  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.650   0.323  -0.274  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -5.903   0.767  -1.578  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -7.174   1.217  -1.943  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -8.207   1.226  -1.009  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.970   0.787   0.292  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.699   0.338   0.657  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5