REMARK  Name = BDB042688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.046   1.511   0.454  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.055   0.720   0.767  0.00  0.00    -0.301 N 
ATOM      3  C   LIG    1        2.257   1.409   1.233  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        3.423   0.466   1.504  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1        3.547  -0.541   0.359  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        2.255  -1.374   0.226  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.043  -0.733   0.901  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1        0.013   2.740   0.482  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  N   LIG    1        4.691  -1.431   0.592  0.00  0.00    -0.341 N 
ATOM     10  H   LIG    1        4.484  -2.420   0.467  0.00  0.00    +0.146 HD
BRANCH   9  11
ATOM     11  C   LIG    1        5.978  -1.124   0.150  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        6.390   0.149  -0.259  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        7.719   0.404  -0.624  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        8.673  -0.612  -0.559  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        8.292  -1.879  -0.119  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.962  -2.122   0.241  0.00  0.00    +0.024 A 
BRANCH  14  17
ATOM     17  C   LIG    1       10.033  -0.352  -0.929  0.00  0.00    +0.099 C 
ATOM     18  N   LIG    1       11.135  -0.143  -1.229  0.00  0.00    -0.191 NA
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  19
ATOM     19  C   LIG    1       -1.324   0.792   0.061  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.443   1.776  -0.286  0.00  0.00    +0.062 C 
BRANCH  20  28
ATOM     21  C   LIG    1       -7.221   0.935   1.944  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -7.167   0.276   0.593  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1       -6.023   0.332  -0.232  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1       -6.050  -0.310  -1.487  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -4.852  -0.252  -2.360  0.00  0.00    +0.257 A 
ATOM     26  N   LIG    1       -3.769   0.439  -1.869  0.00  0.00    -0.326 N 
ATOM     27  H   LIG    1       -2.973   0.482  -2.494  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1       -3.723   1.063  -0.645  0.00  0.00    +0.020 A 
ATOM     29  O   LIG    1       -4.824  -0.793  -3.460  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -7.183  -0.998  -1.927  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1       -8.297  -1.045  -1.107  0.00  0.00    +0.124 A 
ATOM     32  F   LIG    1       -9.390  -1.702  -1.514  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -4.793   1.037   0.166  0.00  0.00    +0.030 A 
ATOM     34  C   LIG    1       -8.300  -0.421   0.137  0.00  0.00    +0.042 A 
ENDBRANCH  20  28
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6