REMARK  Name = BDB028157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.342   1.133   0.859  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.819  -0.023   0.091  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.311  -1.284   0.417  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.852  -2.425  -0.253  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.879  -2.301  -1.245  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.368  -1.040  -1.570  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -3.319  -1.407   1.482  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.772  -2.499   1.808  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -3.706  -0.236   2.085  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -4.403  -0.301   2.822  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.855   0.101  -0.915  0.00  0.00    +0.022 A 
ATOM     12  N   LIG    1       -3.236   1.008   1.800  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.684  -0.903  -2.564  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        2.029  -1.073  -2.333  0.00  0.00    -0.309 N 
ATOM     15  C   LIG    1        2.652  -0.829  -3.520  0.00  0.00    +0.225 A 
ATOM     16  N   LIG    1        1.759  -0.510  -4.426  0.00  0.00    -0.138 NA
ATOM     17  N   LIG    1        0.523  -0.549  -3.824  0.00  0.00    -0.129 NA
BRANCH  14  18
ATOM     18  C   LIG    1        2.686  -1.460  -1.098  0.00  0.00    +0.160 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.483  -0.456   0.011  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1        1.900  -0.854   1.224  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        1.684   0.072   2.246  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.057   1.402   2.072  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.653   1.808   0.880  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.870   0.885  -0.144  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  14  18
ENDBRANCH   6  13
BRANCH   1  25
ATOM     25  C   LIG    1       -1.798   2.529   0.534  0.00  0.00    +0.136 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.414   3.547   1.396  0.00  0.00    -0.325 NA
ATOM     27  H   LIG    1       -2.292   3.242   2.365  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1       -3.426   3.488   1.264  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 5