REMARK  Name = BDB001733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.516   1.414   1.962  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.736   1.336   1.004  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        0.798   0.225   0.147  0.00  0.00    -0.294 N 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -0.339   2.430   0.725  0.00  0.00    +0.075 C 
ATOM      5  C   LIG    1       -1.658   2.341   1.545  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -1.661   3.879   1.593  0.00  0.00    +0.001 C 
ATOM      7  C   LIG    1       -0.135   3.818   1.405  0.00  0.00    +0.013 C 
ENDBRANCH   2   4
BRANCH   3   8
ATOM      8  C   LIG    1        0.090   0.155  -1.133  0.00  0.00    +0.182 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.384  -0.170  -0.936  0.00  0.00    +0.128 A 
ATOM     10  N   LIG    1       -1.667  -1.175  -0.048  0.00  0.00    -0.309 N 
ATOM     11  H   LIG    1       -0.928  -1.580   0.509  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1       -2.942  -1.575   0.257  0.00  0.00    +0.259 A 
ATOM     13  O   LIG    1       -3.173  -2.429   1.103  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -4.013  -0.900  -0.495  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -3.635   0.093  -1.403  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1       -4.632   0.752  -2.124  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -5.979   0.424  -1.938  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -6.340  -0.569  -1.026  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -5.356  -1.236  -0.298  0.00  0.00    +0.015 A 
ATOM     20  N   LIG    1       -2.292   0.455  -1.614  0.00  0.00    -0.232 NA
ENDBRANCH   8   9
ENDBRANCH   3   8
BRANCH   3  21
ATOM     21  C   LIG    1        1.859  -0.761   0.380  0.00  0.00    +0.113 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.193  -0.341  -0.247  0.00  0.00    +0.054 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.257  -1.389  -0.037  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        4.972  -1.436   1.167  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.942  -2.417   1.375  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.205  -3.360   0.384  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.497  -3.323  -0.817  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.526  -2.343  -1.027  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6