REMARK  Name = BDB047100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.307   0.142  -0.553  0.00  0.00    -0.007 A 
ATOM      2  C   LIG    1       -1.492  -0.241   0.189  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -1.081  -1.220   1.091  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -1.849  -1.997   2.105  0.00  0.00    +0.064 C 
ATOM      5  N   LIG    1        0.257  -1.430   0.919  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1        0.803  -2.122   1.415  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        0.767  -0.590  -0.038  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   7   8
ATOM      8  C   LIG    1        2.172  -0.564  -0.408  0.00  0.00    +0.260 C 
ATOM      9  N   LIG    1        3.029  -0.892   0.627  0.00  0.00    -0.313 N 
ATOM     10  H   LIG    1        2.675  -0.772   1.565  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        4.454  -0.781   0.443  0.00  0.00    +0.128 C 
ATOM     12  O   LIG    1        2.585  -0.257  -1.522  0.00  0.00    -0.269 OA
ENDBRANCH   7   8
BRANCH   2  13
ATOM     13  C   LIG    1       -2.891   0.230   0.111  0.00  0.00    +0.162 C 
ATOM     14  O   LIG    1       -3.707  -0.044   0.996  0.00  0.00    -0.292 OA
ATOM     15  C   LIG    1       -3.356   1.053  -1.059  0.00  0.00    +0.091 C 
ENDBRANCH   2  13
BRANCH   1  17
ATOM     16  C   LIG    1        0.136   2.557  -1.087  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -0.178   1.174  -1.640  0.00  0.00    +0.035 C 
ENDBRANCH   1  17
TORSDOF 3