REMARK  Name = BDB005989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.339   0.334   0.847  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        2.829   1.002  -0.264  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        2.379   0.968  -1.394  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        4.006   1.784   0.164  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.130   1.579   1.550  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        5.131   2.186   2.291  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        6.024   3.017   1.623  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        5.903   3.225   0.238  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.888   2.608  -0.526  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        3.062   0.667   2.053  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -1.288  -1.685  -0.224  0.00  0.00    -0.298 NA
ATOM     12  C   LIG    1       -1.379  -0.559   0.718  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1       -0.139   0.332   0.643  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1        1.128  -0.487   0.892  0.00  0.00    +0.079 C 
ATOM     15  C   LIG    1        1.185  -1.676  -0.068  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -0.096  -2.505   0.030  0.00  0.00    +0.086 C 
BRANCH  11  17
ATOM     17  C   LIG    1       -2.500  -2.526  -0.187  0.00  0.00    +0.119 C 
BRANCH  17  21
ATOM     18  C   LIG    1       -7.330  -1.153   0.376  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.071  -1.164  -0.438  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1       -4.916  -1.793   0.049  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -3.739  -1.833  -0.716  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -3.740  -1.250  -1.991  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.889  -0.635  -2.488  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.050  -0.596  -1.717  0.00  0.00    +0.003 A 
ENDBRANCH  17  21
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  25
ATOM     25  C   LIG    1        4.894   2.920  -1.985  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1        5.641   3.785  -2.435  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        4.085   2.235  -2.835  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        4.053   2.544  -3.797  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        3.323   1.634  -2.523  0.00  0.00    +0.145 HD
ENDBRANCH   9  25
TORSDOF 4