REMARK  Name = BDB003649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.758  -0.813  -0.159  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.515   0.346   0.053  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        2.910   0.326  -0.100  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1        3.683   1.562   0.130  0.00  0.00    +0.195 C 
ATOM      5  C   LIG    1        5.151   1.533  -0.024  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        5.798   0.353  -0.390  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        5.023  -0.882  -0.628  0.00  0.00    +0.195 C 
ATOM      8  O   LIG    1        5.590  -1.917  -0.955  0.00  0.00    -0.287 OA
ATOM      9  C   LIG    1        7.191   0.336  -0.534  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        7.930   1.499  -0.312  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        7.283   2.679   0.054  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.895   2.699   0.198  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1        3.108   2.599   0.443  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1        3.556  -0.851  -0.466  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        2.806  -2.010  -0.683  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        1.414  -1.988  -0.531  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -1.571  -1.727  -0.071  0.00  0.00    +0.248 C 
ATOM     18  N   LIG    1       -0.639  -0.707   0.009  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -0.981   0.204   0.290  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1       -1.344  -2.919  -0.234  0.00  0.00    -0.270 OA
BRANCH  17  24
ATOM     21  C   LIG    1       -5.661  -0.552   0.487  0.00  0.00    +0.162 A 
ATOM     22  C   LIG    1       -4.794   0.282  -0.251  0.00  0.00    +0.162 A 
ATOM     23  C   LIG    1       -3.459  -0.095  -0.440  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -2.985  -1.295   0.106  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -3.852  -2.132   0.814  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -5.183  -1.759   1.009  0.00  0.00    +0.050 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -7.861  -0.926   1.345  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -6.950  -0.102   0.632  0.00  0.00    -0.491 OA
ENDBRANCH  21  28
BRANCH  22  29
ATOM     29  O   LIG    1       -5.346   1.441  -0.738  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -4.559   2.238  -1.612  0.00  0.00    +0.277 C 
ENDBRANCH  22  29
ENDBRANCH  17  24
ENDBRANCH   1  18
TORSDOF 4