REMARK  Name = BDB018673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.844   1.141  -1.028  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.800   0.733   0.317  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.361   0.897   1.074  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1       -0.375   0.497   2.414  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1        0.493   0.242   2.870  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -1.490   0.517   3.211  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1       -2.823   0.676   2.493  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -3.949   1.017   3.473  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -5.189   0.506   2.818  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -4.809  -0.535   1.827  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -2.701   1.739   1.390  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -3.297  -0.683   1.957  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1       -1.392   0.321   4.420  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.498   1.488   0.519  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -1.465   1.911  -0.811  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -0.309   1.730  -1.576  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        3.879  -0.478  -2.641  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        2.718  -0.290  -1.886  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        2.064   0.958  -1.836  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        2.608   2.019  -2.575  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.761   1.843  -3.339  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.392   0.599  -3.372  0.00  0.00    +0.023 A 
BRANCH  17  25
ATOM     23  C   LIG    1        5.266  -3.981  -2.405  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        4.302  -2.877  -2.048  0.00  0.00    +0.214 C 
ATOM     25  N   LIG    1        4.577  -1.701  -2.724  0.00  0.00    -0.286 N 
ATOM     26  H   LIG    1        5.391  -1.705  -3.326  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        3.418  -3.062  -1.219  0.00  0.00    -0.276 OA
ENDBRANCH  17  25
ENDBRANCH   1  19
BRANCH   9  28
ATOM     28  C   LIG    1       -6.419   0.641   3.330  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -7.484   0.758   3.768  0.00  0.00    -0.174 NA
ENDBRANCH   9  28
TORSDOF 3