REMARK  Name = BDB042545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.856   0.685  -1.087  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -2.579   0.333  -1.740  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -1.466   0.052  -0.710  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -1.350   1.099   0.318  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.204   1.294   1.086  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.216   1.964   2.118  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -2.625   1.560   0.891  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -3.697   1.846  -0.176  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -7.068  -0.874  -0.024  0.00  0.00    +0.089 A 
ATOM     10  C   LIG    1       -6.747  -2.222  -0.066  0.00  0.00    +0.141 A 
ATOM     11  F   LIG    1       -7.656  -3.154   0.254  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1       -5.479  -2.627  -0.454  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -4.516  -1.670  -0.794  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.786  -0.292  -0.740  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -6.093   0.077  -0.364  0.00  0.00    +0.044 A 
BRANCH   9  17
ATOM     16  N   LIG    1       -9.436  -0.080   0.659  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1       -8.381  -0.454   0.354  0.00  0.00    +0.102 C 
ENDBRANCH   9  17
ENDBRANCH   1  14
BRANCH   5  18
ATOM     18  C   LIG    1        1.076   0.654   0.579  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.267   0.973   1.486  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.544   0.363   0.964  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        3.690  -0.999   1.102  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        2.966  -1.545   1.555  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        4.786  -1.724   0.688  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1        4.848  -2.939   0.832  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        5.882  -0.953   0.054  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        5.740   0.438  -0.080  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1        6.771   1.176  -0.674  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        7.922   0.525  -1.126  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        8.040  -0.855  -0.983  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        9.149  -1.466  -1.421  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        7.032  -1.606  -0.396  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1        4.522   1.093   0.402  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5