REMARK  Name = BDB014719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.792   0.453   0.721  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1        0.909   0.645   2.106  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        2.098   1.083   2.730  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        3.203   1.308   1.895  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        3.132   1.092   0.514  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        1.929   0.678  -0.068  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.350   1.339  -0.300  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        4.533   0.510  -1.388  0.00  0.00    -0.309 N 
ATOM      9  H   LIG    1        3.877  -0.238  -1.565  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        5.138   2.221   0.023  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        5.651   0.682  -2.305  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1        5.978  -0.640  -2.991  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        5.332   1.762  -3.337  0.00  0.00    +0.027 C 
ENDBRANCH   8  11
ENDBRANCH   5   7
BRANCH   3  14
ATOM     14  C   LIG    1        2.225   1.315   4.226  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1        1.071   1.851   5.037  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1        1.513   0.427   5.217  0.00  0.00    +0.009 C 
ENDBRANCH   3  14
BRANCH   1  17
ATOM     17  N   LIG    1       -0.391   0.006   0.085  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1       -0.316   0.076  -0.922  0.00  0.00    +0.154 HD
BRANCH  17  24
ATOM     19  C   LIG    1       -5.839  -1.188  -3.990  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1       -4.461  -0.831  -3.497  0.00  0.00    +0.213 C 
ATOM     21  N   LIG    1       -4.181  -1.062  -2.156  0.00  0.00    -0.297 N 
ATOM     22  C   LIG    1       -2.793  -0.784  -1.740  0.00  0.00    +0.148 C 
ATOM     23  C   LIG    1       -2.679  -0.736  -0.259  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -1.592  -0.383   0.586  0.00  0.00    +0.150 A 
ATOM     25  N   LIG    1       -1.940  -0.516   1.870  0.00  0.00    -0.156 NA
ATOM     26  N   LIG    1       -3.225  -0.908   1.855  0.00  0.00    -0.269 N 
ATOM     27  C   LIG    1       -3.910  -1.109   3.107  0.00  0.00    +0.172 C 
ATOM     28  C   LIG    1       -3.704  -1.077   0.596  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -5.054  -1.511   0.170  0.00  0.00    +0.074 C 
ATOM     30  C   LIG    1       -4.981  -1.969  -1.303  0.00  0.00    +0.114 C 
ATOM     31  O   LIG    1       -3.632  -0.347  -4.270  0.00  0.00    -0.276 OA
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 5