REMARK  Name = BDB028309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.225  -0.512   0.255  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -0.963   0.146  -0.174  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.076   1.240  -1.026  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.066   1.910  -1.471  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        1.332   1.484  -1.062  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        1.467   0.383  -0.203  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.411   1.687  -1.455  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -2.551   2.646  -2.205  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -3.473   0.967  -0.967  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -4.403   1.260  -1.252  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1        0.309  -0.285   0.240  0.00  0.00    +0.036 A 
ATOM     12  N   LIG    1       -3.400  -0.105  -0.134  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.763  -0.051   0.214  0.00  0.00    -0.306 N 
ATOM     14  C   LIG    1        3.069  -1.106   1.048  0.00  0.00    +0.204 A 
ATOM     15  N   LIG    1        4.362  -1.247   1.239  0.00  0.00    -0.244 NA
ATOM     16  C   LIG    1        4.939  -0.253   0.507  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1        3.981   0.498  -0.133  0.00  0.00    +0.112 A 
ENDBRANCH   6  13
BRANCH   1  18
ATOM     18  C   LIG    1       -2.136  -1.720   1.194  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.470  -2.241   1.512  0.00  0.00    -0.325 NA
ATOM     20  H   LIG    1       -3.942  -2.445   0.628  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -4.022  -1.469   1.893  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 3