REMARK  Name = BDB029393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.236   3.095  -1.680  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.043   2.008  -1.162  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -0.810   1.496  -0.781  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1        0.054   2.006  -0.889  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -0.932   0.231  -0.216  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -2.281  -0.134  -0.203  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -2.685  -1.345   0.323  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -1.702  -2.190   0.843  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.343  -1.814   0.826  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.075  -0.584   0.287  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.105   0.962  -0.812  0.00  0.00    +0.133 C 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1        1.492  -0.208   0.265  0.00  0.00    -0.013 A 
ATOM     13  C   LIG    1        2.178  -0.050  -0.944  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        3.517   0.306  -0.914  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        4.211   0.514   0.224  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        3.538   0.354   1.382  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        2.201  -0.003   1.453  0.00  0.00    +0.028 A 
ENDBRANCH  10  12
TORSDOF 1