REMARK  Name = BDB012416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.617  -0.686   1.067  0.00  0.00    +0.071 A 
ATOM      2  N   LIG    1        0.527   0.008   0.966  0.00  0.00    -0.167 NA
ATOM      3  N   LIG    1        1.366  -0.811   0.273  0.00  0.00    -0.182 N 
ATOM      4  C   LIG    1        0.774  -2.033  -0.021  0.00  0.00    +0.217 A 
ATOM      5  C   LIG    1       -0.502  -1.968   0.482  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.698  -0.415  -0.063  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        3.484  -1.315  -0.726  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        4.737  -0.924  -1.050  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.258   0.314  -0.731  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.445   1.207  -0.034  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        3.137   0.855   0.296  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.999   2.539   0.297  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        5.775   3.125  -0.437  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        4.602   3.011   1.495  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        4.110   2.387   2.060  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   4  16
ATOM     16  O   LIG    1        1.382  -3.029  -0.669  0.00  0.00    -0.492 OA
ATOM     17  H   LIG    1        2.292  -2.730  -0.896  0.00  0.00    +0.294 HD
ENDBRANCH   4  16
BRANCH   1  18
ATOM     18  C   LIG    1       -1.800  -0.100   1.770  0.00  0.00    +0.092 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -4.370  -1.626   1.237  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -3.982  -0.409   0.443  0.00  0.00    -0.044 A 
ATOM     21  C   LIG    1       -2.788   0.308   0.694  0.00  0.00    -0.038 A 
ATOM     22  C   LIG    1       -2.507   1.458  -0.076  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.378   1.884  -1.077  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -4.541   1.169  -1.315  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1       -5.383   1.576  -2.273  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -4.849   0.037  -0.569  0.00  0.00    +0.042 A 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 6