REMARK  Name = BDB013892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.802   1.524  -1.012  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.564   1.865  -0.151  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.294   3.052   0.064  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.222   0.821   0.358  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.069  -0.550  -0.030  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.182  -0.903  -1.371  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        0.382  -2.251  -1.713  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.317  -3.248  -0.743  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        0.049  -2.908   0.578  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.190   0.136  -2.459  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -0.144  -1.570   0.930  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.425   1.026  -2.410  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.041   0.510  -0.607  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.701   0.606  -0.310  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.320   0.030   0.428  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.571   1.203  -1.475  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.840  -0.525   0.216  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.157  -1.890   0.301  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.224   0.355   2.461  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.278   0.003   1.526  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.901  -0.677   1.960  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.226   1.169   1.388  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.631   0.638   1.136  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -3.413   1.069   0.019  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -4.691   0.486  -0.193  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -5.474   0.869  -1.294  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -5.029   1.837  -2.191  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.797   2.441  -1.989  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.184  -0.468   0.705  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -4.447  -0.845   1.822  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -3.006   2.065  -0.900  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -3.190  -0.288   2.034  0.00  0.00    +0.122 A 
BRANCH  32  33
ATOM     33  O   LIG    1       -2.487  -0.652   3.152  0.00  0.00    -0.506 OA
ATOM     34  H   LIG    1       -3.047  -1.230   3.698  0.00  0.00    +0.292 HD
ENDBRANCH  32  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6