REMARK  Name = BDB020869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.270   0.561  -0.049  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -1.844  -0.691   0.497  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.514  -1.013   0.377  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.386  -2.262   0.910  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.545  -2.666   1.379  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.425  -0.175  -0.226  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.042   0.955  -0.753  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.467  -1.677   1.113  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.296   1.289  -0.646  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.918   0.060   1.029  0.00  0.00    +0.042 C 
ATOM     11  C   LIG    1       -5.934   1.226   1.066  0.00  0.00    +0.138 C 
ATOM     12  O   LIG    1       -6.252   2.177   0.040  0.00  0.00    -0.372 OA
ATOM     13  C   LIG    1       -5.707   1.835  -1.232  0.00  0.00    +0.165 C 
ATOM     14  C   LIG    1       -4.181   1.863  -1.174  0.00  0.00    +0.063 C 
ATOM     15  C   LIG    1       -3.660   1.044  -0.013  0.00  0.00    -0.035 C 
ATOM     16  C   LIG    1       -4.505   0.755   0.996  0.00  0.00    +0.008 C 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1        1.751  -0.538  -0.297  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        2.199   0.067  -0.985  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.557  -0.513   0.920  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.922  -1.056   0.625  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.957  -0.266   0.133  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.013   1.194  -0.126  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        6.324   1.259  -0.910  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        7.124   0.100  -0.584  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        6.208  -0.811  -0.129  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.489  -2.147   0.077  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.462  -2.962   0.550  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.198  -2.417   0.814  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        3.234  -3.229   1.272  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4