REMARK  Name = BDB051944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.624   0.196   0.643  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.178  -0.151  -0.623  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        1.885  -0.452  -1.276  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.903   0.480   1.592  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1        6.391   0.408  -1.902  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1        6.532   0.301  -0.413  0.00  0.00    +0.229 C 
ATOM      7  N   LIG    1        5.318   0.238   0.314  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1        5.190   0.143   1.703  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1        3.824   0.120   2.011  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.437   0.035   3.369  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.404  -0.026   4.375  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.752  -0.003   4.051  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        3.089   0.184   0.786  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1        6.165   0.082   2.719  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        4.035   0.263  -0.222  0.00  0.00    +0.108 A 
ATOM     16  O   LIG    1        7.612   0.267   0.164  0.00  0.00    -0.273 OA
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1       -0.156  -0.226  -1.080  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -1.274   0.088  -0.298  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -2.585  -0.033  -0.803  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -2.761  -0.463  -2.124  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -1.650  -0.748  -2.917  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1       -0.353  -0.644  -2.400  0.00  0.00    +0.038 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.769   0.295   0.093  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -4.601   1.464  -0.462  0.00  0.00    +0.008 C 
ATOM     25  C   LIG    1       -5.783   1.790   0.449  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1       -6.652   0.562   0.706  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -5.834  -0.603   1.254  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -4.652  -0.939   0.347  0.00  0.00    +0.008 C 
ENDBRANCH  19  23
BRANCH  21  29
ATOM     29  C   LIG    1       -1.867  -1.188  -4.310  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -2.652  -2.062  -4.624  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -1.117  -0.488  -5.188  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -0.691   0.304  -4.809  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH   2  17
TORSDOF 5