REMARK  Name = BDB003247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.793   2.507  -1.573  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -2.759   1.204  -0.780  0.00  0.00    +0.149 C 
ATOM      3  C   LIG    1       -3.535   1.288   0.557  0.00  0.00    +0.174 C 
ATOM      4  C   LIG    1       -3.112   0.136   1.466  0.00  0.00    +0.178 C 
ATOM      5  C   LIG    1       -1.608   0.204   1.765  0.00  0.00    +0.192 C 
ATOM      6  C   LIG    1       -0.826   0.936   0.632  0.00  0.00    +0.235 C 
ATOM      7  O   LIG    1       -1.389   0.797  -0.662  0.00  0.00    -0.351 OA
ENDROOT
BRANCH   3   8
ATOM      8  O   LIG    1       -3.280   2.521   1.244  0.00  0.00    -0.387 OA
ATOM      9  H   LIG    1       -3.819   3.209   0.813  0.00  0.00    +0.210 HD
ENDBRANCH   3   8
BRANCH   4  10
ATOM     10  O   LIG    1       -3.453  -1.120   0.863  0.00  0.00    -0.386 OA
ATOM     11  H   LIG    1       -2.805  -1.752   1.246  0.00  0.00    +0.210 HD
ENDBRANCH   4  10
BRANCH   5  12
ATOM     12  O   LIG    1       -1.154  -1.139   2.034  0.00  0.00    -0.385 OA
ATOM     13  H   LIG    1       -0.180  -1.089   1.928  0.00  0.00    +0.210 HD
ENDBRANCH   5  12
BRANCH   6  14
ATOM     14  N   LIG    1        0.598   0.564   0.631  0.00  0.00    -0.317 N 
ATOM     15  H   LIG    1        1.140   1.391   0.389  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.151  -0.519  -0.088  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        2.577  -0.663  -0.143  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        3.143  -1.761  -0.845  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1        4.539  -1.905  -0.931  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        5.396  -0.992  -0.321  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.867   0.075   0.390  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.310  -2.711  -1.443  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        0.929  -2.603  -1.342  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.481   0.234   0.479  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        0.362  -1.527  -0.661  0.00  0.00    +0.023 A 
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 5