REMARK  Name = BDB016197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.967  -0.786   0.737  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -2.208  -0.311   0.211  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1       -2.225   0.973  -0.348  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.485   1.555   0.071  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.434   1.747  -0.566  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.305   1.094  -1.610  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -5.122  -0.036  -1.081  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.575  -1.019  -0.327  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.262  -1.741  -0.146  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.317  -0.135  -1.379  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.127   2.130   0.739  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.287  -1.223   0.206  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.130  -2.495   0.801  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.924  -2.909   1.361  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.836  -2.056   1.323  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1        1.395  -0.527   0.279  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        1.292  -1.460  -0.101  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        0.242   0.091   0.731  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1        0.117   1.258   1.087  0.00  0.00    -0.270 OA
BRANCH  16  22
ATOM     20  C   LIG    1        5.008  -0.306  -0.488  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        3.692  -0.769  -0.372  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        2.689   0.027   0.199  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.023   1.299   0.660  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        4.335   1.768   0.547  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.326   0.969  -0.026  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.221  -0.763  -1.226  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        5.875  -1.193  -1.066  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 3