REMARK  Name = BDB018755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.635  -0.945   0.479  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -0.392   0.014   0.522  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.715  -0.353   0.807  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.798   0.686   0.932  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -4.183   0.113   0.594  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -4.362  -0.114  -0.914  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -4.800   1.206  -1.454  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -5.297   2.044  -0.335  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -4.400  -1.212   1.314  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -3.326  -2.062   1.368  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -3.515  -2.989   1.730  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -5.491  -1.575   1.749  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.299   1.124   0.879  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -2.014  -1.692   1.063  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -1.011  -2.656   1.047  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        0.303  -2.284   0.750  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        4.694   0.187  -0.430  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        4.399  -0.525   0.731  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        3.078  -0.893   1.025  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.020  -0.557   0.168  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        2.327   0.161  -0.997  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        3.646   0.527  -1.292  0.00  0.00    +0.024 A 
BRANCH  17  25
ATOM     23  C   LIG    1        8.364   0.964  -0.823  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        7.171   0.377  -0.110  0.00  0.00    +0.214 C 
ATOM     25  N   LIG    1        5.992   0.592  -0.801  0.00  0.00    -0.286 N 
ATOM     26  H   LIG    1        6.063   1.103  -1.672  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        7.303  -0.190   0.969  0.00  0.00    -0.276 OA
ENDBRANCH  17  25
ENDBRANCH   1  20
BRANCH   7  28
ATOM     28  C   LIG    1       -5.018   1.460  -2.749  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -5.203   1.681  -3.870  0.00  0.00    -0.174 NA
ENDBRANCH   7  28
TORSDOF 3