REMARK  Name = BDB057257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.601  -0.370   1.816  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.631  -0.784   0.902  0.00  0.00    -0.293 N 
ATOM      3  O   LIG    1       -2.439  -0.362   3.035  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -6.048  -0.415   0.281  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -4.786  -0.832   0.708  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -3.922   0.075   1.329  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -4.330   1.386   1.577  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -5.589   1.804   1.152  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -6.444   0.908   0.500  0.00  0.00    +0.045 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -8.108  -1.029  -0.737  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -6.792  -1.385  -0.331  0.00  0.00    -0.495 OA
ENDBRANCH   4  11
ENDBRANCH   1   6
BRANCH   2  12
ATOM     12  C   LIG    1       -1.734  -0.631  -0.554  0.00  0.00    +0.112 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.892   0.494  -1.078  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1       -1.472   1.491  -2.053  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -1.119   1.927  -0.660  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
ENDBRANCH   2  12
BRANCH   2  16
ATOM     16  C   LIG    1       -0.401  -1.369   1.442  0.00  0.00    +0.143 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.764  -0.411   1.534  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1        1.930  -0.639   0.784  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        3.027   0.235   0.848  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.946   1.348   1.694  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.799   1.579   2.457  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        0.716   0.704   2.380  0.00  0.00    +0.005 A 
BRANCH  19  23
ATOM     23  C   LIG    1        4.204  -0.041   0.034  0.00  0.00    +0.089 A 
ATOM     24  N   LIG    1        4.248  -1.076  -0.900  0.00  0.00    -0.232 NA
ATOM     25  C   LIG    1        5.449  -1.000  -1.407  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        6.243  -1.730  -2.413  0.00  0.00    +0.076 C 
ATOM     27  C   LIG    1        7.675  -1.223  -2.101  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1        7.502   0.128  -1.380  0.00  0.00    +0.123 C 
ATOM     29  N   LIG    1        6.159   0.018  -0.857  0.00  0.00    -0.334 N 
ATOM     30  C   LIG    1        5.412   0.648   0.065  0.00  0.00    +0.115 A 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 7