REMARK  Name = BDB014976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.143   0.289   1.172  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -2.257   0.584   2.016  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -3.048   0.513   1.453  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -0.890  -1.238   1.081  0.00  0.00    +0.119 C 
BRANCH   4   5
ATOM      5  N   LIG    1       -1.813  -2.110   0.343  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1       -2.313  -1.613  -0.935  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -3.628  -0.870  -0.845  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -4.512  -1.088   0.229  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1       -5.740  -0.414   0.265  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -6.098   0.456  -0.764  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.232   0.662  -1.835  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.115  -1.978   1.383  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1       -4.005  -0.001  -1.879  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -2.846  -2.793   1.115  0.00  0.00    +0.089 C 
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1        0.084   1.005   1.767  0.00  0.00    +0.261 C 
BRANCH  15  16
ATOM     16  O   LIG    1        1.227   0.921   0.915  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.383   1.829  -0.098  0.00  0.00    +0.124 A 
ATOM     18  C   LIG    1        2.557   1.703  -0.871  0.00  0.00    -0.003 A 
ATOM     19  C   LIG    1        2.772   2.608  -1.930  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        1.850   3.611  -2.220  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        0.697   3.727  -1.455  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        0.465   2.842  -0.400  0.00  0.00    +0.046 A 
BRANCH  18  23
ATOM     23  C   LIG    1        3.618   0.637  -0.620  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1        3.097  -0.795  -0.811  0.00  0.00    +0.008 C 
ATOM     25  C   LIG    1        4.234  -1.820  -0.758  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1        5.370  -1.428   0.190  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        4.898  -0.494   1.296  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1        4.336   0.815   0.735  0.00  0.00    +0.008 C 
ENDBRANCH  18  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7