REMARK  Name = BDB013142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.213   0.379  -0.469  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.343   1.005   0.466  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.000   0.739   0.352  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.606   1.503   1.305  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.699   2.151   2.000  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.529  -0.124  -0.612  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.734  -0.676  -1.489  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.534   1.836   1.471  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.617  -0.404  -1.398  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.425   0.881  -0.557  0.00  0.00    +0.126 A 
ATOM     11  N   LIG    1        4.918  -0.376  -0.656  0.00  0.00    -0.250 NA
ATOM     12  C   LIG    1        3.568  -0.494  -0.619  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        2.678   0.574  -0.509  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.238   1.851  -0.409  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.623   2.011  -0.443  0.00  0.00    +0.033 A 
BRANCH  10  18
ATOM     16  C   LIG    1        9.193   0.151  -0.524  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1        7.780   0.055  -0.202  0.00  0.00    -0.302 N 
ATOM     18  C   LIG    1        6.914   1.060  -0.646  0.00  0.00    +0.264 C 
ATOM     19  O   LIG    1        7.331   2.119  -1.123  0.00  0.00    -0.268 OA
ATOM     20  C   LIG    1        7.366  -1.124   0.543  0.00  0.00    +0.132 C 
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1       -2.881  -0.381  -0.671  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.056  -0.856  -1.558  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.504  -1.181   0.383  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.957  -1.389   0.072  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.885  -0.352   0.079  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.719   1.083   0.415  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -7.064   1.615  -0.082  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -8.016   0.527  -0.117  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.228  -0.592  -0.188  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.711  -1.853  -0.474  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.798  -2.905  -0.502  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.443  -2.668  -0.233  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.597  -3.708  -0.263  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5