REMARK  Name = BDB047076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.592  -0.130  -0.143  0.00  0.00    -0.342 N 
ATOM      2  H   LIG    1        1.387   0.835   0.142  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        3.930   0.583   0.146  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1        2.950  -0.429   0.062  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        3.452  -1.733   0.049  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1        4.759  -2.080   0.165  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1        5.647  -1.076   0.266  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        5.289   0.257   0.258  0.00  0.00    +0.036 A 
BRANCH   3  10
ATOM      9  O   LIG    1        2.398   2.441   0.339  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1        3.526   2.014   0.163  0.00  0.00    +0.339 C 
BRANCH  10  11
ATOM     11  O   LIG    1        4.557   2.855  -0.041  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1        4.144   3.743  -0.024  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1        0.573  -1.089   0.280  0.00  0.00    +0.108 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.862  -0.532   0.112  0.00  0.00    -0.013 C 
ATOM     15  C   LIG    1       -1.133  -0.074  -1.344  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -2.582   0.423  -1.497  0.00  0.00    -0.010 C 
ATOM     17  C   LIG    1       -3.550  -0.717  -1.144  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -3.321  -1.172   0.305  0.00  0.00    -0.010 C 
ATOM     19  C   LIG    1       -3.554   0.013   1.255  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1       -2.585   1.156   0.915  0.00  0.00    -0.010 C 
ATOM     21  C   LIG    1       -2.816   1.602  -0.538  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -1.872  -1.662   0.458  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -1.136   0.659   1.067  0.00  0.00    +0.012 C 
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5