REMARK  Name = BDB049172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.199   2.448   0.931  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -1.842   1.466  -0.007  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -1.162   0.298  -0.397  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.800  -0.589  -1.273  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -1.068  -1.805  -1.667  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1        0.183  -1.944  -1.126  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        0.686  -2.779  -1.396  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1        0.739  -1.029  -0.273  0.00  0.00    +0.111 A 
ATOM      9  O   LIG    1       -1.543  -2.639  -2.429  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -3.085  -0.341  -1.764  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -3.752   0.816  -1.374  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1        0.134   0.051   0.100  0.00  0.00    -0.233 NA
ATOM     13  C   LIG    1       -3.135   1.714  -0.502  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1        2.127  -1.373   0.209  0.00  0.00    +0.085 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.702  -0.325   1.154  0.00  0.00    +0.128 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.085  -0.706   1.611  0.00  0.00    +0.305 C 
ATOM     17  O   LIG    1        4.682  -1.717   1.278  0.00  0.00    -0.251 OA
BRANCH  16  18
ATOM     18  O   LIG    1        4.620   0.208   2.453  0.00  0.00    -0.481 OA
ATOM     19  H   LIG    1        4.032   0.967   2.632  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   8  14
TORSDOF 4