REMARK  Name = BDB008869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.414   1.755  -0.816  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.296   2.130  -0.064  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.929   2.379  -0.699  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.999   2.285  -2.097  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.126   1.931  -2.847  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.336   1.667  -2.208  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        3.159   2.424   0.560  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.696   1.511  -0.119  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        3.315   0.271  -0.273  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        2.646  -0.917  -0.809  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1        3.180  -2.198  -0.183  0.00  0.00    +0.050 C 
ATOM     12  C   LIG    1        4.687  -2.336  -0.399  0.00  0.00    +0.118 C 
ATOM     13  C   LIG    1        5.431  -0.999  -0.364  0.00  0.00    +0.050 C 
ATOM     14  C   LIG    1        4.625   0.078   0.351  0.00  0.00    +0.110 C 
BRANCH  12  15
ATOM     15  O   LIG    1        5.225  -3.194   0.606  0.00  0.00    -0.392 OA
ATOM     16  H   LIG    1        4.766  -4.050   0.546  0.00  0.00    +0.210 HD
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1       -2.143   2.785   0.106  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.498   1.790   1.207  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -3.151   0.489   0.853  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -3.522   0.168  -0.567  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -4.477  -1.024  -0.690  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.045  -2.168   0.219  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.007  -1.721   1.682  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.390  -0.362   1.867  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -3.040   0.019   3.259  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -3.254  -0.731   4.206  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -2.474   1.254   3.416  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -2.221   1.533   4.358  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -2.190   2.136   2.422  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4