REMARK  Name = BDB042546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.945   0.604   0.225  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -3.675   0.140   1.598  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -2.378   0.775   2.126  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -1.216   0.507   1.271  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.048   0.624   1.829  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.212   1.011   2.986  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.503   0.047  -0.095  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -2.789   0.653  -0.694  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -5.442  -1.088  -0.837  0.00  0.00    +0.150 A 
ATOM     10  C   LIG    1       -5.168   0.186  -0.304  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1       -6.222   1.115  -0.285  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -7.486   0.790  -0.785  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -7.712  -0.476  -1.308  0.00  0.00    +0.127 A 
ATOM     14  F   LIG    1       -8.923  -0.786  -1.786  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -6.702  -1.425  -1.339  0.00  0.00    +0.082 A 
BRANCH   9  17
ATOM     16  C   LIG    1       -3.674  -2.940  -0.922  0.00  0.00    +0.135 C 
ATOM     17  N   LIG    1       -4.467  -2.078  -0.872  0.00  0.00    -0.348 NA
ENDBRANCH   9  17
ENDBRANCH   1  10
BRANCH   5  18
ATOM     18  C   LIG    1        1.226   0.259   0.943  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.547   0.305   1.713  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.723  -0.027   0.829  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        3.884  -1.347   0.470  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        3.235  -2.049   0.807  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        4.902  -1.832  -0.322  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1        4.987  -3.021  -0.609  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        5.887  -0.838  -0.809  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        5.729   0.508  -0.438  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1        6.655   1.455  -0.891  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        7.720   1.055  -1.702  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        7.856  -0.284  -2.058  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        8.881  -0.654  -2.837  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        6.950  -1.240  -1.620  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1        4.603   0.898   0.413  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5