REMARK  Name = BDB015046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.220   0.441   0.437  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.729   1.399   1.376  0.00  0.00    -0.489 OA
BRANCH   2   5
ATOM      3  C   LIG    1       -4.407   0.818   1.115  0.00  0.00    -0.013 A 
ATOM      4  C   LIG    1       -3.028   0.673   0.863  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -2.085   1.451   1.541  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.520   2.386   2.481  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -3.878   2.546   2.745  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -4.814   1.768   2.065  0.00  0.00    +0.009 A 
BRANCH   3  13
ATOM      9  C   LIG    1       -8.173  -2.522  -1.648  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -7.208  -1.624  -0.934  0.00  0.00    +0.038 A 
ATOM     11  N   LIG    1       -6.194  -2.211  -0.259  0.00  0.00    -0.260 NA
ATOM     12  C   LIG    1       -5.324  -1.396   0.386  0.00  0.00    +0.119 A 
ATOM     13  C   LIG    1       -5.394  -0.003   0.400  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.457   0.567  -0.307  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -7.372  -0.244  -0.980  0.00  0.00    +0.023 A 
ENDBRANCH   3  13
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        1.312   0.569   0.436  0.00  0.00    +0.166 C 
BRANCH  16  17
ATOM     17  O   LIG    1        1.650   1.891  -0.010  0.00  0.00    -0.387 OA
ATOM     18  H   LIG    1        1.116   2.500   0.534  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        1.938  -0.491  -0.499  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.391  -0.725  -0.430  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        4.183   0.456  -0.813  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        5.678   0.197  -0.768  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        6.205  -0.836   0.029  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        7.591  -1.032   0.086  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        8.451  -0.192  -0.621  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.933   0.845  -1.394  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.275  -1.771   0.762  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        6.554   1.041  -1.465  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.843  -1.224   0.873  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7