REMARK  Name = BDB041335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.806   0.091  -0.712  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -1.871  -0.308   0.626  0.00  0.00    +0.085 A 
ATOM      3  C   LIG    1       -0.798  -1.056   1.159  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.870  -1.420   2.524  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.964  -1.062   3.300  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -2.967  -0.344   2.691  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        0.292  -1.388   0.319  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1        0.344  -0.997  -0.965  0.00  0.00    -0.239 NA
ATOM      9  N   LIG    1       -2.939   0.024   1.393  0.00  0.00    -0.254 NA
ATOM     10  C   LIG    1       -0.684  -0.269  -1.444  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -4.466   3.611  -3.249  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -4.029   2.421  -2.482  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1       -4.915   1.488  -2.125  0.00  0.00    -0.176 NA
ATOM     14  N   LIG    1       -4.187   0.580  -1.440  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -4.864  -0.599  -0.950  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1       -2.848   0.895  -1.364  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1       -2.729   2.094  -2.045  0.00  0.00    +0.052 A 
ENDBRANCH   1  16
BRANCH   7  18
ATOM     18  N   LIG    1        1.360  -2.152   0.842  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        0.971  -3.034   1.163  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.485  -2.388  -0.066  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.385  -1.192  -0.224  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        3.808  -0.391   0.835  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.443  -0.426   2.272  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        4.511   0.516   2.824  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        4.968   1.386   1.764  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        4.657   0.691   0.623  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        5.128   1.027  -0.630  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        4.742   0.226  -1.702  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        3.891  -0.869  -1.492  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.569  -1.629  -2.550  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   7  18
TORSDOF 4