REMARK  Name = BDB002618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.649  -1.036   0.806  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1       -1.764  -0.656  -0.342  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1       -2.183  -0.599  -1.494  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -0.483  -0.398   0.043  0.00  0.00    -0.182 N 
ATOM      5  C   LIG    1        0.000  -0.687   1.282  0.00  0.00    +0.255 A 
ATOM      6  N   LIG    1        1.359  -0.511   1.308  0.00  0.00    -0.191 NA
ATOM      7  C   LIG    1        1.662  -0.193   0.067  0.00  0.00    +0.157 A 
ATOM      8  N   LIG    1       -0.720  -1.081   2.272  0.00  0.00    -0.215 NA
ATOM      9  N   LIG    1        0.588  -0.182  -0.818  0.00  0.00    -0.271 N 
ATOM     10  H   LIG    1        0.486   0.659  -1.381  0.00  0.00    +0.189 HD
ATOM     11  C   LIG    1       -2.078  -1.207   2.023  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -2.868  -1.540   3.263  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        3.043   0.145  -0.350  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1        4.032   0.326   0.621  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        5.336   0.654   0.241  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        5.668   0.790  -1.112  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1        7.061   1.173  -1.516  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        4.671   0.615  -2.080  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.365   0.287  -1.704  0.00  0.00    +0.012 A 
ENDBRANCH   7  13
BRANCH   1  20
ATOM     20  C   LIG    1       -4.102  -1.186   0.448  0.00  0.00    +0.163 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.728   0.174   0.203  0.00  0.00    +0.311 C 
ATOM     22  O   LIG    1       -4.231   1.252   0.501  0.00  0.00    -0.250 OA
BRANCH  21  24
ATOM     23  C   LIG    1       -6.638   1.236  -0.639  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1       -5.959   0.011  -0.364  0.00  0.00    -0.468 OA
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 4