REMARK  Name = BDB004794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.052   0.127   0.432  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.227   0.905   0.363  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.391   0.346   0.927  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.573   1.115   0.879  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.594   2.390   0.281  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.448   2.924  -0.283  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.353  -0.886   1.484  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.190  -1.546   1.471  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.273   2.186  -0.244  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        1.039  -1.101   0.972  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.878   0.649   1.446  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.891   1.339   1.377  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.928  -0.571   2.051  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.104  -1.163   2.098  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.808  -0.899   2.420  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.150   0.645  -0.098  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.330   1.537   0.359  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.346  -0.218  -0.006  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.573   0.691  -0.131  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -3.534   0.718   0.895  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -4.652   1.548   0.797  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -4.813   2.354  -0.323  0.00  0.00    +0.123 A 
ATOM     23  F   LIG    1       -5.886   3.151  -0.413  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -3.877   2.348  -1.349  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -2.759   1.519  -1.254  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -1.327  -1.323  -1.114  0.00  0.00    +0.110 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -2.425  -3.152   0.062  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1       -2.473  -2.268  -1.104  0.00  0.00    -0.306 NA
ATOM     29  C   LIG    1       -2.471  -3.067  -2.332  0.00  0.00    +0.104 C 
ENDBRANCH  26  28
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6