REMARK  Name = BDB014035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.458  -0.494   1.780  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.430   0.381   1.069  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.817   1.381   0.446  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.921   0.045   1.166  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.491  -1.049   1.919  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.943  -1.627   3.086  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.637  -2.700   3.713  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.835  -3.205   3.223  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.378  -2.647   2.086  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.303  -1.233   3.848  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.717  -1.591   1.454  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.269  -0.229   3.258  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.388  -0.699   0.267  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.790  -0.070   1.344  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.952   0.929   1.401  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.962  -1.744  -0.223  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.620   0.046  -0.299  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.147   0.891  -1.481  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.833  -0.398  -1.261  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.650  -0.955  -0.631  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.225  -1.668  -1.229  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.830   0.930   0.407  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.013   0.632  -1.086  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -2.879   1.442  -1.926  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -2.970   1.067  -3.301  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -3.776   1.776  -4.206  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -4.521   2.876  -3.807  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.467   3.281  -2.485  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1       -2.255  -0.026  -3.806  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -1.431  -0.783  -2.990  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -3.668   2.589  -1.553  0.00  0.00    +0.060 A 
ATOM     32  C   LIG    1       -1.311  -0.458  -1.649  0.00  0.00    +0.006 A 
BRANCH  31  33
ATOM     33  C   LIG    1       -3.713   3.119  -0.220  0.00  0.00    +0.100 C 
ATOM     34  N   LIG    1       -3.775   3.558   0.854  0.00  0.00    -0.191 NA
ENDBRANCH  31  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6