REMARK  Name = BDB034143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.524  -1.118  -1.174  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -4.076  -0.122  -0.363  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.267   0.703   0.438  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -1.863   0.553   0.389  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -1.058   1.374   1.184  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.415   1.238   1.124  0.00  0.00    +0.262 A 
ATOM      7  N   LIG    1        0.935   0.302   0.229  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        0.156  -0.568  -0.536  0.00  0.00    +0.263 A 
ATOM      9  O   LIG    1        0.624  -1.459  -1.240  0.00  0.00    -0.267 OA
ATOM     10  O   LIG    1        1.109   1.957   1.839  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -1.630   2.334   2.029  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -3.013   2.484   2.076  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.313  -0.406  -0.464  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -3.826   1.675   1.283  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -2.137  -1.220  -1.254  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   7  16
ATOM     16  C   LIG    1        2.393   0.123   0.215  0.00  0.00    +0.180 C 
ATOM     17  C   LIG    1        2.765  -1.204   0.888  0.00  0.00    +0.242 C 
ATOM     18  O   LIG    1        2.075  -1.752   1.746  0.00  0.00    -0.273 OA
ATOM     19  N   LIG    1        3.991  -1.727   0.540  0.00  0.00    -0.255 N 
ATOM     20  H   LIG    1        4.242  -2.597   0.990  0.00  0.00    +0.158 HD
ATOM     21  C   LIG    1        4.897  -1.233  -0.365  0.00  0.00    +0.219 C 
ATOM     22  O   LIG    1        5.964  -1.805  -0.569  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        4.546   0.078  -1.030  0.00  0.00    +0.099 C 
ATOM     24  C   LIG    1        3.040   0.246  -1.166  0.00  0.00    +0.044 C 
ENDBRANCH   7  16
BRANCH   1  25
ATOM     25  N   LIG    1       -4.336  -1.843  -2.051  0.00  0.00    -0.358 N 
ATOM     26  H   LIG    1       -5.294  -1.962  -1.736  0.00  0.00    +0.142 HD
ATOM     27  H   LIG    1       -3.928  -2.717  -2.371  0.00  0.00    +0.142 HD
ENDBRANCH   1  25
TORSDOF 2