REMARK  Name = BDB046595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.036  -2.644  -0.791  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.995  -2.061  -0.510  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.685  -2.699  -0.704  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.538  -1.977  -0.396  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.268  -2.535  -0.557  0.00  0.00    +0.037 A 
ATOM      6  N   LIG    1        0.893  -1.855  -0.174  0.00  0.00    -0.336 N 
ATOM      7  H   LIG    1        1.732  -2.210  -0.632  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1        0.804  -0.387  -0.261  0.00  0.00    +0.114 C 
ATOM      9  C   LIG    1       -0.422   0.159   0.514  0.00  0.00    +0.095 C 
ATOM     10  C   LIG    1       -0.181  -3.870  -0.975  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -1.330  -4.600  -1.296  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -1.693  -0.611   0.133  0.00  0.00    +0.081 A 
ATOM     13  N   LIG    1       -2.862  -0.073   0.334  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -2.587  -4.013  -1.167  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.973  -0.787   0.002  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1       -4.865  -0.329   0.160  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1       -0.566   1.668   0.309  0.00  0.00    -0.036 A 
ATOM     18  C   LIG    1       -0.978   2.208  -0.921  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -1.066   3.590  -1.097  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -0.739   4.449  -0.050  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -0.327   3.929   1.174  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -0.240   2.547   1.354  0.00  0.00    +0.004 A 
ENDBRANCH   9  17
BRANCH   8  23
ATOM     23  C   LIG    1        2.124   0.181   0.251  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        2.825   1.131  -0.508  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.025   1.670  -0.041  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.540   1.267   1.189  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.857   0.326   1.955  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.656  -0.212   1.491  0.00  0.00    +0.005 A 
ENDBRANCH   8  23
TORSDOF 2