REMARK  Name = BDB046933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.926   0.205   0.373  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1       -0.963  -0.785   0.086  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1       -0.680  -1.658   1.140  0.00  0.00    +0.134 A 
ATOM      4  N   LIG    1       -1.194  -1.579   2.393  0.00  0.00    -0.261 NA
ATOM      5  C   LIG    1       -2.083  -0.597   2.621  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -2.482   0.305   1.656  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -1.825   1.315  -1.772  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1       -2.336   1.179  -0.674  0.00  0.00    +0.339 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -3.377   1.948  -0.303  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1       -3.534   2.519  -1.085  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   2  11
ATOM     11  N   LIG    1       -0.432  -0.966  -1.205  0.00  0.00    -0.335 N 
ATOM     12  H   LIG    1       -0.608  -0.135  -1.787  0.00  0.00    +0.147 HD
BRANCH  11  13
ATOM     13  C   LIG    1        0.972  -1.368  -1.346  0.00  0.00    +0.176 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.970  -0.354  -0.900  0.00  0.00    +0.122 A 
ATOM     15  O   LIG    1        2.321   0.599  -1.813  0.00  0.00    -0.466 OA
ATOM     16  C   LIG    1        3.219   1.417  -1.206  0.00  0.00    +0.195 A 
ATOM     17  C   LIG    1        3.452   1.004   0.084  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        2.644  -0.141   0.285  0.00  0.00    +0.046 A 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   2  11
TORSDOF 5