REMARK  Name = BDB028255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.199  -0.173   0.558  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -4.080   0.251  -0.321  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -4.213   1.476  -0.970  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.208   1.942  -1.825  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.057   1.178  -2.023  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.902  -0.046  -1.362  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -5.421   2.285  -0.739  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -5.581   3.366  -1.294  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -6.344   1.759   0.131  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -7.183   2.304   0.305  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.920  -0.509  -0.513  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -6.255   0.559   0.767  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.710  -0.843  -1.555  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        0.589  -0.406  -1.368  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1        1.192   0.894  -0.961  0.00  0.00    +0.140 C 
ATOM     16  N   LIG    1        2.554   0.754  -0.412  0.00  0.00    -0.291 NA
ATOM     17  C   LIG    1        3.371  -0.100  -1.300  0.00  0.00    +0.108 C 
ATOM     18  C   LIG    1        2.824  -1.514  -1.510  0.00  0.00    +0.159 C 
ATOM     19  N   LIG    1        1.381  -1.486  -1.652  0.00  0.00    -0.265 N 
ATOM     20  N   LIG    1        0.701  -2.598  -1.978  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1       -0.574  -2.204  -1.918  0.00  0.00    +0.143 A 
BRANCH  16  22
ATOM     22  C   LIG    1        2.516   0.291   0.987  0.00  0.00    +0.120 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.872   0.298   1.661  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1        4.403  -0.879   2.210  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.650  -0.868   2.837  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.377   0.318   2.926  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.859   1.495   2.389  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.612   1.486   1.762  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH   6  13
BRANCH   1  29
ATOM     29  C   LIG    1       -5.137  -1.521   1.272  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -4.255  -1.409   2.435  0.00  0.00    -0.325 NA
ATOM     31  H   LIG    1       -4.636  -0.690   3.055  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1       -4.303  -2.277   2.969  0.00  0.00    +0.119 HD
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 5