REMARK  Name = BDB016056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.543   2.130   0.573  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.136   0.904   0.193  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.167   0.721  -0.117  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -2.090   1.769  -0.035  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.563   2.985   0.365  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -0.266   3.199   0.661  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.222   1.363   1.251  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.860   1.213   0.940  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.971   2.309   0.904  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.503   3.577   1.201  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.853   3.745   1.514  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.707   2.643   1.539  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.260  -3.092   0.414  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.006  -1.757   0.898  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.878  -1.182   1.743  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.336   0.016   1.980  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.119   0.217   1.287  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.941  -0.961   0.589  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  N   LIG    1       -1.562  -0.565  -0.568  0.00  0.00    -0.314 N 
ATOM     20  C   LIG    1       -0.729  -1.647  -0.018  0.00  0.00    +0.112 C 
ATOM     21  C   LIG    1       -1.413  -3.004  -0.289  0.00  0.00    +0.032 C 
ATOM     22  C   LIG    1       -2.224  -2.994  -1.597  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -1.636  -2.006  -2.595  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -1.659  -0.576  -2.043  0.00  0.00    +0.106 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -2.299  -3.435   0.882  0.00  0.00    +0.160 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -1.488  -3.716   2.018  0.00  0.00    -0.395 OA
ATOM     27  H   LIG    1       -2.092  -3.930   2.751  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH   3  19
BRANCH   4  28
ATOM     28  C   LIG    1       -3.515   1.627  -0.280  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -4.329   2.588  -0.846  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1       -5.583   2.049  -0.894  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1       -6.779   2.672  -1.406  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1       -5.649   0.802  -0.398  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1       -4.392   0.547  -0.024  0.00  0.00    +0.143 A 
ENDBRANCH   4  28
TORSDOF 6