REMARK  Name = BDB002867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.386  -0.033   0.360  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.946  -0.098   0.328  0.00  0.00    -0.011 C 
ATOM      3  C   LIG    1       -2.534   0.922  -0.689  0.00  0.00    +0.008 C 
ATOM      4  C   LIG    1       -3.891   1.476  -0.263  0.00  0.00    +0.001 C 
ATOM      5  C   LIG    1       -3.791   2.261   1.044  0.00  0.00    +0.000 C 
ATOM      6  C   LIG    1       -2.694   1.742   1.973  0.00  0.00    +0.001 C 
ATOM      7  C   LIG    1       -2.457   0.249   1.770  0.00  0.00    +0.008 C 
BRANCH   2   8
ATOM      8  C   LIG    1       -2.444  -1.544   0.042  0.00  0.00    +0.127 C 
BRANCH   8  10
ATOM      9  O   LIG    1       -0.800  -2.880  -1.133  0.00  0.00    -0.251 OA
ATOM     10  C   LIG    1       -1.837  -2.235  -1.147  0.00  0.00    +0.305 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -2.545  -2.066  -2.276  0.00  0.00    -0.481 OA
ATOM     12  H   LIG    1       -1.963  -2.421  -2.980  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   2   8
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1        0.367  -0.066  -0.969  0.00  0.00    +0.214 C 
ATOM     14  N   LIG    1        1.729  -0.167  -0.915  0.00  0.00    -0.311 N 
ATOM     15  H   LIG    1        2.154  -0.262  -1.830  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -0.172   0.035  -2.067  0.00  0.00    -0.276 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.515  -0.546   0.236  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.984  -0.454  -0.061  0.00  0.00    -0.027 A 
ATOM     19  C   LIG    1        4.718  -1.592  -0.408  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        6.067  -1.450  -0.694  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        6.721  -0.269  -0.665  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1        5.992   0.820  -0.341  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        4.640   0.780  -0.038  0.00  0.00    +0.025 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   1  13
TORSDOF 7