REMARK  Name = BDB043081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.722   0.688  -0.466  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.542  -0.288  -0.333  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.509  -1.119   0.579  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.524  -0.159  -1.259  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -0.589   0.606  -2.504  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.830   0.483  -3.063  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        1.265  -0.920  -2.636  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        2.786  -1.073  -2.590  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        3.205  -2.126  -1.566  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.725  -1.847  -0.210  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        1.595  -0.913  -0.118  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -1.029   2.077  -2.396  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -1.077   2.624  -0.974  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.588  -1.115  -1.268  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -2.285   2.127  -0.173  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -5.081   0.594   0.307  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -3.759   0.259   0.470  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -3.476  -0.436   1.154  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -5.454   1.369  -0.574  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -6.051   0.003   1.364  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -5.940  -1.517   1.452  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -8.255   0.680   2.142  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -7.438   0.353   0.983  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -7.391   1.168   0.360  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        3.790  -1.590   0.769  0.00  0.00    +0.090 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.609  -0.306   0.559  0.00  0.00    +0.071 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.697  -0.184   1.596  0.00  0.00    +0.042 A 
ATOM     28  N   LIG    1        6.921  -0.658   1.261  0.00  0.00    -0.260 NA
ATOM     29  C   LIG    1        7.898  -0.568   2.191  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        7.714  -0.028   3.451  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.452   0.450   3.782  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        5.426   0.372   2.845  0.00  0.00    +0.023 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6