REMARK  Name = BDB027958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.149   1.051   2.126  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.522   0.456   1.255  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.058  -0.818   1.469  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -2.220  -1.192   2.394  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.282  -1.591   0.637  0.00  0.00    +0.239 C 
ATOM      6  O   LIG    1       -0.793  -2.645   1.042  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1       -1.066  -1.069  -0.782  0.00  0.00    +0.158 C 
ATOM      8  C   LIG    1       -2.005   0.074  -1.161  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1       -2.155   1.103  -0.058  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        0.328  -0.790  -1.157  0.00  0.00    -0.332 N 
ATOM     11  H   LIG    1        0.702  -1.527  -1.755  0.00  0.00    +0.147 HD
BRANCH  10  12
ATOM     12  C   LIG    1        1.340  -0.189  -0.429  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        1.234   0.443   0.806  0.00  0.00    +0.133 A 
ATOM     14  N   LIG    1        2.239   1.089   1.457  0.00  0.00    -0.261 NA
ATOM     15  C   LIG    1        3.433   1.128   0.840  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.663   0.561  -0.397  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        2.603  -0.088  -1.030  0.00  0.00    +0.026 A 
ENDBRANCH  10  12
ENDBRANCH   7  10
TORSDOF 2