REMARK  Name = BDB018762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -6.192  -1.223   0.770  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -5.580   0.137   0.774  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -5.379   0.488  -0.708  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -5.413   2.004  -0.855  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -6.438   2.637  -1.100  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -4.245   2.671  -0.592  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -4.312   3.681  -0.564  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.997   2.055  -0.478  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.867   0.696  -0.767  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -1.605   0.091  -0.674  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -0.473   0.826  -0.283  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -0.636   2.193  -0.003  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.887   2.808  -0.106  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -4.061  -0.076  -1.263  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -6.598  -0.190  -1.344  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.746  -1.498  -0.579  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        0.848   0.183  -0.179  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        1.027  -0.977   0.596  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        2.278  -1.595   0.691  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        3.374  -1.048   0.022  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.215   0.090  -0.773  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        1.961   0.702  -0.864  0.00  0.00    +0.009 A 
BRANCH  20  23
ATOM     23  C   LIG    1        4.683  -1.733   0.118  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        5.802  -0.996   0.485  0.00  0.00    -0.293 N 
ATOM     25  C   LIG    1        7.104  -1.663   0.495  0.00  0.00    +0.136 C 
ATOM     26  C   LIG    1        8.243  -0.642   0.446  0.00  0.00    +0.179 C 
ATOM     27  O   LIG    1        8.218   0.312   1.519  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        6.925   0.493   2.110  0.00  0.00    +0.179 C 
ATOM     29  C   LIG    1        5.773   0.331   1.112  0.00  0.00    +0.136 C 
ATOM     30  O   LIG    1        4.724  -2.935  -0.134  0.00  0.00    -0.270 OA
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  32
ATOM     31  N   LIG    1       -6.767  -2.513   2.827  0.00  0.00    -0.174 NA
ATOM     32  C   LIG    1       -6.501  -1.915   1.873  0.00  0.00    +0.169 C 
ENDBRANCH   1  32
TORSDOF 3