REMARK  Name = BDB010780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.733   3.687   1.030  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -1.338   3.257   0.741  0.00  0.00    +0.110 A 
ATOM      3  N   LIG    1       -0.830   1.993   0.999  0.00  0.00    -0.324 N 
ATOM      4  C   LIG    1        0.503   1.993   0.638  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        0.714   3.282   0.167  0.00  0.00    +0.184 A 
ATOM      6  N   LIG    1        1.889   3.753  -0.278  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1        2.858   2.827  -0.193  0.00  0.00    +0.242 A 
ATOM      8  N   LIG    1        2.756   1.560   0.249  0.00  0.00    -0.205 NA
ATOM      9  C   LIG    1        1.567   1.088   0.667  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1       -0.417   4.036   0.215  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        4.207   3.293  -0.670  0.00  0.00    +0.375 C 
ATOM     12  O   LIG    1        5.228   2.627  -0.703  0.00  0.00    -0.242 OA
BRANCH  11  13
ATOM     13  O   LIG    1        4.154   4.593  -1.082  0.00  0.00    -0.475 OA
ATOM     14  H   LIG    1        3.238   4.942  -0.973  0.00  0.00    +0.296 HD
ENDBRANCH  11  13
ENDBRANCH   7  11
BRANCH   9  15
ATOM     15  N   LIG    1        1.451  -0.218   1.110  0.00  0.00    -0.324 N 
ATOM     16  H   LIG    1        0.544  -0.610   0.911  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.523  -1.210   0.928  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1        3.778  -0.870   1.727  0.00  0.00    +0.028 C 
BRANCH  17  19
ATOM     19  C   LIG    1        2.769  -1.562  -0.544  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        3.650  -2.811  -0.844  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        4.063  -2.113  -2.155  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1        3.760  -0.774  -1.454  0.00  0.00    +0.005 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   9  15
BRANCH   3  23
ATOM     23  C   LIG    1       -1.579   0.921   1.633  0.00  0.00    +0.127 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.562   0.192   0.694  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -3.477  -0.733   1.512  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.478  -1.471   0.625  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -3.780  -2.252  -0.495  0.00  0.00    -0.014 C 
ATOM     28  C   LIG    1       -4.806  -2.928  -1.403  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -2.859  -1.333  -1.307  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -1.856  -0.610  -0.409  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7