REMARK  Name = BDB028305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.549  -0.677   0.555  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1        1.575   0.217  -0.121  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        2.088   1.226  -0.929  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.231   2.103  -1.600  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.151   1.968  -1.458  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.691   0.961  -0.644  0.00  0.00    -0.044 A 
ATOM      7  C   LIG    1        3.547   1.359  -1.073  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1        4.043   2.234  -1.774  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        4.307   0.451  -0.378  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1        5.316   0.528  -0.466  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1        0.186   0.083   0.019  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1        3.838  -0.547   0.419  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -2.195   0.831  -0.515  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -2.738  -0.439  -1.193  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1       -3.884  -0.893  -0.303  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1       -3.378  -0.581   1.094  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1       -2.707   0.780   0.940  0.00  0.00    +0.008 C 
ENDBRANCH   6  13
BRANCH   1  18
ATOM     18  C   LIG    1        2.008  -1.796   1.450  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.103  -2.577   2.039  0.00  0.00    -0.325 NA
ATOM     20  H   LIG    1        3.719  -1.921   2.526  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1        3.690  -2.910   1.270  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 3