REMARK  Name = BDB046142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.151  -1.244  -1.259  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.070  -1.032  -0.715  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -3.504   0.336  -0.691  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.156   0.646  -0.449  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -1.685   1.956  -0.470  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -2.563   3.018  -0.731  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.907   2.736  -0.983  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.341   2.003  -0.216  0.00  0.00    -0.228 NA
ATOM      9  C   LIG    1        0.054   0.751  -0.084  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -1.035  -0.098  -0.153  0.00  0.00    -0.322 N 
ATOM     11  C   LIG    1       -1.021  -1.522   0.115  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -2.295  -2.014   0.785  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -4.364   1.418  -0.969  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -3.414  -2.082  -0.129  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -3.967  -2.932  -0.149  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        1.443   0.347   0.146  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        2.187   0.979   1.149  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        3.516   0.617   1.387  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        4.125  -0.383   0.620  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1        3.391  -0.995  -0.405  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        2.062  -0.631  -0.642  0.00  0.00    +0.012 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.566  -0.753   0.844  0.00  0.00    +0.191 C 
BRANCH  22  23
ATOM     23  O   LIG    1        6.400  -0.118  -0.115  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        5.885   0.595  -0.530  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   9  16
TORSDOF 3