REMARK  Name = BDB045918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.085   0.224   0.082  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.040   1.615  -0.584  0.00  0.00    +0.231 C 
ATOM      3  O   LIG    1       -0.951   2.673   0.031  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.979   1.590  -1.951  0.00  0.00    -0.328 N 
ATOM      5  H   LIG    1       -0.620   0.745  -2.395  0.00  0.00    +0.145 HD
ATOM      6  H   LIG    1       -0.769   2.468  -2.406  0.00  0.00    +0.145 HD
ENDBRANCH   1   2
BRANCH   1   7
ATOM      7  N   LIG    1        0.316  -0.172   0.245  0.00  0.00    -0.302 N 
ATOM      8  H   LIG    1        0.831   0.265   1.001  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1        1.035  -0.696  -0.809  0.00  0.00    +0.230 C 
ATOM     10  O   LIG    1        0.538  -0.887  -1.920  0.00  0.00    -0.274 OA
BRANCH   9  11
ATOM     11  C   LIG    1        2.525  -0.948  -0.501  0.00  0.00    +0.135 C 
ATOM     12  C   LIG    1        3.320   0.318  -0.797  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1        3.010  -2.083  -1.301  0.00  0.00    -0.320 NA
ATOM     14  H   LIG    1        4.022  -2.039  -1.400  0.00  0.00    +0.119 HD
ATOM     15  H   LIG    1        2.623  -1.997  -2.245  0.00  0.00    +0.119 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   1  17
ATOM     16  C   LIG    1       -1.745  -1.105   2.146  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -1.819   0.255   1.440  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -3.291   0.644   1.262  0.00  0.00    +0.009 C 
ENDBRANCH   1  17
TORSDOF 5