REMARK  Name = BDB014333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.652   0.707   1.748  0.00  0.00    -0.343 N 
ATOM      2  C   LIG    1       -1.783   1.055   1.031  0.00  0.00    +0.094 A 
ATOM      3  C   LIG    1       -2.174   2.308   1.511  0.00  0.00    +0.093 A 
ATOM      4  N   LIG    1       -3.216   3.013   1.023  0.00  0.00    -0.220 NA
ATOM      5  C   LIG    1       -3.848   2.381   0.012  0.00  0.00    +0.240 A 
ATOM      6  N   LIG    1       -3.568   1.175  -0.509  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1       -1.313   2.675   2.566  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.535   0.472   0.007  0.00  0.00    +0.099 A 
ATOM      9  C   LIG    1       -0.396   1.664   2.709  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.337  -0.856  -0.557  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -2.675  -2.008   0.172  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -2.490  -3.275  -0.382  0.00  0.00    +0.042 A 
ATOM     13 CL   LIG    1       -2.882  -4.673   0.541  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.984  -3.417  -1.672  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.671  -2.283  -2.419  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -1.852  -1.013  -1.867  0.00  0.00    +0.010 A 
ENDBRANCH   8  10
BRANCH   5  17
ATOM     17  C   LIG    1       -5.003   3.149  -0.578  0.00  0.00    +0.374 C 
ATOM     18  O   LIG    1       -5.712   2.789  -1.502  0.00  0.00    -0.242 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -5.167   4.343   0.062  0.00  0.00    -0.475 OA
ATOM     20  H   LIG    1       -4.490   4.434   0.772  0.00  0.00    +0.296 HD
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   1  21
ATOM     21  C   LIG    1        0.216  -0.450   1.576  0.00  0.00    +0.125 C 
BRANCH  21  26
ATOM     22  C   LIG    1        5.120  -0.266  -1.627  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        3.744  -0.577  -1.043  0.00  0.00    -0.014 C 
ATOM     24  C   LIG    1        2.836   0.656  -1.110  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1        1.467   0.384  -0.487  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        1.589  -0.114   0.961  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        2.500  -1.351   1.023  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        3.868  -1.081   0.399  0.00  0.00    +0.003 C 
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 5