REMARK  Name = BDB018587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.397   5.881   0.514  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.119   4.634   0.315  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        2.457   4.673  -0.048  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        3.116   5.694  -0.220  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        3.108   3.356  -0.240  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        2.450   2.195  -0.048  0.00  0.00    -0.003 A 
ATOM      7  C   LIG    1        1.035   2.237   0.382  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.449   3.443   0.527  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.199   0.956  -0.316  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1        2.879   0.217  -1.394  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        3.594  -1.048  -1.713  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1        3.286  -1.664  -2.731  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1        4.582  -1.434  -0.804  0.00  0.00    -0.312 N 
ATOM     14  C   LIG    1        4.928  -0.647   0.276  0.00  0.00    +0.090 A 
ATOM     15  C   LIG    1        4.287   0.498   0.535  0.00  0.00    +0.026 A 
BRANCH  13  16
ATOM     16  C   LIG    1        5.344  -2.637  -1.040  0.00  0.00    +0.090 C 
ATOM     17  C   LIG    1        5.567  -3.681   0.029  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        4.671  -3.985  -1.131  0.00  0.00    +0.027 C 
ENDBRANCH  13  16
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1        0.292   1.038   0.647  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -0.953   0.728   0.144  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -1.316  -0.497   0.663  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1       -0.306  -1.015   1.417  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1        0.635  -0.072   1.431  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -2.521  -1.249   0.481  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1       -3.753  -0.691   0.068  0.00  0.00    +0.081 A 
ATOM     26  C   LIG    1       -4.894  -1.521  -0.129  0.00  0.00    -0.025 A 
ATOM     27  C   LIG    1       -4.751  -2.904   0.091  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.553  -3.453   0.535  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -2.450  -2.631   0.739  0.00  0.00    +0.029 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -6.236  -0.973  -0.592  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -7.039  -0.072   0.321  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -7.529  -1.455   0.030  0.00  0.00    +0.009 C 
ENDBRANCH  26  30
BRANCH  25  33
ATOM     33  C   LIG    1       -3.943   0.725  -0.094  0.00  0.00    +0.102 C 
ATOM     34  N   LIG    1       -4.095   1.870  -0.220  0.00  0.00    -0.191 NA
ENDBRANCH  25  33
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 6