REMARK  Name = BDB016191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.929  -0.877   1.095  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -3.206  -0.568   0.534  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1       -3.350   0.675  -0.076  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -2.780   1.399   0.379  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -4.509   1.190  -0.773  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -5.788   0.927  -0.015  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -6.283  -0.468  -0.217  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -5.485  -1.531   0.051  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -6.003  -2.398  -0.026  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -7.444  -0.679  -0.578  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.507   0.737  -2.232  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -4.156  -1.613   0.510  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.811  -2.891   1.002  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.565  -3.155   1.562  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.624  -2.143   1.622  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1        0.378  -0.255   0.713  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        0.423  -1.176   0.295  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -0.863   0.169   1.152  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1       -1.167   1.291   1.542  0.00  0.00    -0.270 OA
BRANCH  16  22
ATOM     20  C   LIG    1        3.935   0.527   0.049  0.00  0.00    +0.123 A 
ATOM     21  C   LIG    1        2.700  -0.128   0.116  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        1.578   0.486   0.688  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        1.711   1.772   1.207  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        2.942   2.431   1.150  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.052   1.810   0.574  0.00  0.00    +0.046 A 
BRANCH  20  26
ATOM     26  O   LIG    1        4.930  -0.206  -0.536  0.00  0.00    -0.489 OA
BRANCH  26  28
ATOM     27  C   LIG    1        6.774  -0.296  -2.029  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        6.188   0.417  -0.811  0.00  0.00    +0.167 C 
ATOM     29  C   LIG    1        7.120   0.254   0.386  0.00  0.00    +0.051 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 4