REMARK  Name = BDB003857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.778   2.737   2.023  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        2.353   1.744   1.433  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        1.121   1.253   1.756  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1        0.850   1.810   2.561  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1        0.974  -0.069   2.081  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1        0.897  -0.417   3.259  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        0.755  -1.057   0.927  0.00  0.00    +0.105 C 
ATOM      8  C   LIG    1        1.944  -1.127  -0.044  0.00  0.00    +0.018 C 
ATOM      9  C   LIG    1        2.442   0.206  -0.602  0.00  0.00    +0.010 C 
ATOM     10  C   LIG    1        3.211   1.005   0.437  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -0.639  -0.834   0.330  0.00  0.00    -0.038 C 
ATOM     12  C   LIG    1       -1.763  -0.997   1.250  0.00  0.00    -0.000 C 
ATOM     13  C   LIG    1       -3.014  -0.629   0.938  0.00  0.00    -0.024 C 
ATOM     14  C   LIG    1       -3.368  -0.045  -0.401  0.00  0.00    +0.063 C 
ATOM     15  C   LIG    1       -2.319  -0.357  -1.477  0.00  0.00    +0.196 C 
ATOM     16  C   LIG    1       -0.907  -0.564  -0.965  0.00  0.00    +0.009 C 
BRANCH  15  17
ATOM     17  N   LIG    1       -2.330   0.783  -2.478  0.00  0.00    +0.030 N 
ATOM     18  O   LIG    1       -2.878   0.561  -3.567  0.00  0.00    -0.131 OA
ATOM     19  O   LIG    1       -1.804   1.857  -2.150  0.00  0.00    -0.131 OA
ENDBRANCH  15  17
ENDBRANCH   7  11
TORSDOF 2