REMARK  Name = BDB046935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.023   0.301   0.333  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1       -0.962  -0.425  -0.233  0.00  0.00    +0.133 A 
ATOM      3  N   LIG    1       -0.580  -1.615   0.297  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1       -1.225  -2.081   1.389  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.269  -1.421   2.005  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1       -2.675  -0.208   1.466  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -1.739   2.334  -0.934  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1       -2.418   1.613  -0.225  0.00  0.00    +0.340 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -3.661   1.980   0.143  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1       -3.793   2.842  -0.305  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   2  11
ATOM     11  N   LIG    1       -0.359  -0.008  -1.429  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1       -0.275   1.012  -1.443  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        0.918  -0.630  -1.767  0.00  0.00    +0.177 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.089  -0.130  -0.988  0.00  0.00    +0.122 A 
ATOM     15  O   LIG    1        2.673   1.023  -1.428  0.00  0.00    -0.466 OA
ATOM     16  C   LIG    1        3.696   1.297  -0.578  0.00  0.00    +0.195 A 
ATOM     17  C   LIG    1        3.778   0.338   0.404  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        2.738  -0.584   0.142  0.00  0.00    +0.046 A 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   2  11
TORSDOF 5