REMARK  Name = BDB045095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.827  -1.308  -2.279  0.00  0.00    -0.291 OA
ATOM      2  C   LIG    1       -1.792  -1.605  -1.578  0.00  0.00    +0.175 C 
ATOM      3  C   LIG    1       -2.420  -0.596  -0.683  0.00  0.00    +0.026 C 
ATOM      4  C   LIG    1       -1.758   0.763  -0.556  0.00  0.00    +0.089 C 
ATOM      5  C   LIG    1       -2.605   1.702   0.257  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -3.797   1.287   0.896  0.00  0.00    +0.148 A 
ATOM      7  N   LIG    1       -4.212   0.011   0.772  0.00  0.00    -0.300 N 
ATOM      8  H   LIG    1       -5.094  -0.255   1.198  0.00  0.00    +0.153 HD
ATOM      9  N   LIG    1       -4.391   2.272   1.561  0.00  0.00    -0.158 NA
ATOM     10  N   LIG    1       -3.581   3.327   1.347  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1       -3.828   4.216   1.769  0.00  0.00    +0.188 HD
ATOM     12  C   LIG    1       -2.503   3.044   0.555  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -3.567  -0.921  -0.037  0.00  0.00    +0.031 C 
ATOM     14  C   LIG    1       -4.218  -2.279  -0.193  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1       -3.836  -2.980  -1.418  0.00  0.00    -0.304 NA
ATOM     16  H   LIG    1       -4.239  -2.490  -2.218  0.00  0.00    +0.123 HD
ATOM     17  C   LIG    1       -2.373  -3.013  -1.564  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   4  18
ATOM     18  C   LIG    1       -0.413   0.716   0.162  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1        0.735   1.192  -0.494  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        1.983   1.127   0.126  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        2.106   0.623   1.421  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        0.978   0.148   2.085  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -0.271   0.188   1.460  0.00  0.00    +0.005 A 
BRANCH  20  24
ATOM     24  O   LIG    1        3.062   1.633  -0.561  0.00  0.00    -0.456 OA
BRANCH  24  25
ATOM     25  C   LIG    1        4.134   0.786  -0.741  0.00  0.00    +0.128 A 
ATOM     26  C   LIG    1        3.992  -0.543  -1.149  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        5.126  -1.332  -1.345  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.397  -0.791  -1.148  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.537   0.542  -0.761  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        5.405   1.334  -0.565  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH   4  18
TORSDOF 3