REMARK  Name = BDB013899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.085  -0.332   0.337  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.658   0.576  -0.812  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.449   1.443  -1.215  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.618   0.423  -1.349  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.557  -0.617  -1.018  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -1.736  -1.183   0.259  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.724  -2.188   0.425  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -3.510  -2.651  -0.628  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.323  -2.122  -1.890  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -1.041  -0.818   1.551  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.358  -1.124  -2.069  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        0.201   0.047   1.513  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.266  -0.910   1.373  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.492  -0.057   0.626  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.901   0.732   0.134  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.789  -1.898   1.935  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.750  -0.492   1.537  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.430  -0.263   0.190  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.441  -1.040   3.198  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.472  -1.569   2.251  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.773  -2.126   2.757  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   9  22
ATOM     22  O   LIG    1       -3.997  -2.479  -3.024  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1       -4.963  -3.516  -2.898  0.00  0.00    +0.277 C 
ENDBRANCH   9  22
BRANCH   4  24
ATOM     24  C   LIG    1       -1.049   1.488  -2.273  0.00  0.00    +0.148 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.805   2.580  -1.542  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -3.197   2.504  -1.386  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.887   3.499  -0.691  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.194   4.576  -0.142  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.811   4.659  -0.284  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.119   3.666  -0.979  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 6