REMARK  Name = BDB012417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.330  -1.309  -0.353  0.00  0.00    +0.072 A 
ATOM      2  N   LIG    1        0.856  -0.745  -0.605  0.00  0.00    -0.167 NA
ATOM      3  N   LIG    1        1.595  -0.927   0.531  0.00  0.00    -0.182 N 
ATOM      4  C   LIG    1        0.876  -1.649   1.484  0.00  0.00    +0.217 A 
ATOM      5  C   LIG    1       -0.354  -1.908   0.927  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.926  -0.401   0.627  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        3.636  -0.570   1.776  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        4.888  -0.074   1.839  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.486   0.619   0.808  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.742   0.803  -0.355  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        3.455   0.280  -0.466  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.316   1.524  -1.507  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        5.268   1.105  -2.648  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.874   2.701  -1.154  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.682   2.985  -0.240  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   4  16
ATOM     16  O   LIG    1        1.362  -1.982   2.677  0.00  0.00    -0.492 OA
ATOM     17  H   LIG    1        0.672  -2.467   3.160  0.00  0.00    +0.294 HD
ENDBRANCH   4  16
BRANCH   1  18
ATOM     18  C   LIG    1       -1.403  -1.295  -1.396  0.00  0.00    +0.095 C 
BRANCH  18  24
ATOM     19  C   LIG    1       -5.952   1.506   0.941  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -4.798   0.783   0.313  0.00  0.00    -0.048 A 
ATOM     21  C   LIG    1       -3.720   1.497  -0.220  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1       -2.636   0.819  -0.774  0.00  0.00    +0.127 A 
ATOM     23  F   LIG    1       -1.630   1.536  -1.293  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -2.586  -0.578  -0.800  0.00  0.00    -0.006 A 
ATOM     25  C   LIG    1       -3.665  -1.291  -0.256  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -4.756  -0.616   0.301  0.00  0.00    +0.004 A 
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 6