REMARK  Name = BDB056545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.256  -0.861   0.564  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -0.659   0.279   0.455  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.450   1.451   1.137  0.00  0.00    +0.213 C 
ATOM      4  O   LIG    1        0.571   1.643   1.800  0.00  0.00    -0.276 OA
ATOM      5  C   LIG    1       -1.516   2.508   1.012  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -1.824  -0.058  -0.352  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -1.520  -1.438  -0.935  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -0.587  -2.050   0.108  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.516   0.721  -0.615  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1        2.382   0.285   0.156  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1        2.033   0.900   0.895  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1        1.492  -0.646  -0.338  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1        1.658  -1.240  -1.401  0.00  0.00    -0.274 OA
ENDBRANCH   1  12
BRANCH   7  14
ATOM     14  O   LIG    1       -2.696  -2.216  -1.082  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -2.427  -3.078  -1.447  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
TORSDOF 2