REMARK  Name = BDB041343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.455   0.283   0.017  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1       -1.868  -0.457   1.069  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.512  -0.800   1.024  0.00  0.00    +0.114 A 
ATOM      4  N   LIG    1        0.084  -1.493   2.024  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.680  -1.870   3.057  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1       -1.981  -1.608   3.204  0.00  0.00    -0.243 NA
ATOM      7  C   LIG    1        0.215  -0.370  -0.107  0.00  0.00    +0.145 A 
ATOM      8  N   LIG    1       -0.328   0.350  -1.119  0.00  0.00    -0.238 NA
ATOM      9  C   LIG    1       -2.545  -0.905   2.204  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1       -1.636   0.663  -1.035  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -7.003   2.462   0.628  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.868   1.588   0.250  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1       -6.071   0.518  -0.525  0.00  0.00    -0.176 NA
ATOM     14  N   LIG    1       -4.851  -0.031  -0.663  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -4.704  -1.233  -1.454  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1       -3.864   0.657   0.003  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1       -4.508   1.718   0.607  0.00  0.00    +0.052 A 
ENDBRANCH   1  16
BRANCH   7  18
ATOM     18  N   LIG    1        1.561  -0.787  -0.224  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1        1.968  -0.830   0.707  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.352  -0.056  -1.199  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.799  -0.443  -1.063  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.612   0.054  -0.047  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.291   0.964   1.078  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.709   1.280   1.555  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.595   0.218   1.133  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.937  -0.349   0.072  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.513  -1.255  -0.795  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.721  -1.758  -1.827  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.385  -1.353  -1.953  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.662  -1.862  -2.961  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   7  18
TORSDOF 4