REMARK  Name = BDB016370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.181   0.315  -0.278  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -0.197   0.031   0.685  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.846  -0.869   0.414  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1        0.908  -1.476  -0.847  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.060  -1.203  -1.812  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.097  -0.315  -1.528  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  20
ATOM      7  C   LIG    1       -4.847  -2.658   0.890  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1       -5.032  -1.139   0.831  0.00  0.00    +0.076 C 
ATOM      9  N   LIG    1       -3.877  -0.567   0.159  0.00  0.00    -0.339 N 
ATOM     10  H   LIG    1       -3.024  -1.100   0.325  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -3.628   0.818   0.249  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -4.622   1.806   0.456  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -4.246   3.163   0.536  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.929   3.571   0.362  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.956   2.624   0.094  0.00  0.00    +0.010 A 
ATOM     16  N   LIG    1       -6.011   1.606   0.606  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1       -6.566   2.425   0.823  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -6.813   0.522   0.462  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -8.025   0.668   0.651  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -2.280   1.256   0.022  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -6.269  -0.799   0.031  0.00  0.00    +0.118 C 
ENDBRANCH   1  20
BRANCH   3  22
ATOM     22  C   LIG    1        1.908  -1.148   1.445  0.00  0.00    +0.142 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.065  -0.319   1.230  0.00  0.00    -0.277 N 
ATOM     24  H   LIG    1        2.994   0.680   1.349  0.00  0.00    +0.152 HD
ATOM     25  C   LIG    1        4.158  -0.752   0.547  0.00  0.00    +0.401 C 
ATOM     26  O   LIG    1        4.343  -1.898   0.169  0.00  0.00    -0.226 OA
BRANCH  25  27
ATOM     27  O   LIG    1        4.988   0.298   0.353  0.00  0.00    -0.445 OA
BRANCH  27  28
ATOM     28  C   LIG    1        6.235   0.133  -0.370  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1        6.870   1.532  -0.375  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        7.179  -0.831   0.358  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        5.984  -0.295  -1.820  0.00  0.00    +0.055 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 5