REMARK  Name = BDB046013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.053   1.921  -1.070  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        1.388   0.709  -0.925  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.136  -0.152   0.248  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        0.382  -1.229  -0.183  0.00  0.00    -0.291 N 
ATOM      5  C   LIG    1        0.162  -1.225  -1.611  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        1.544   0.056   1.374  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        0.809   0.053  -2.028  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        0.882   0.580  -3.308  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.550   1.788  -3.480  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.126   2.446  -2.379  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        2.461   2.458   1.307  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        2.055   1.577   1.621  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        3.006   2.965   1.990  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        2.696   2.738  -0.003  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        3.424   3.683  -0.295  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1       -0.083  -2.309   0.678  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.373  -2.016   1.461  0.00  0.00    +0.136 C 
ATOM     18  O   LIG    1       -1.165  -1.044   2.502  0.00  0.00    -0.375 OA
ATOM     19  C   LIG    1       -2.325  -0.205   2.581  0.00  0.00    +0.160 C 
ATOM     20  C   LIG    1       -3.391  -0.852   1.722  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -2.559  -1.517   0.652  0.00  0.00    +0.035 C 
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 3