REMARK  Name = BDB007279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.916  -0.276  -0.326  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        2.013  -1.321  -0.133  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.653  -1.036   0.025  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -0.226  -2.105   0.228  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        0.119  -3.057   0.251  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -1.581  -1.972   0.397  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -2.144  -0.598   0.362  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.293   0.507   0.160  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -1.895   1.780   0.140  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -3.275   1.940   0.313  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.092   0.832   0.510  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.528  -0.439   0.536  0.00  0.00    +0.014 A 
ATOM     13  O   LIG    1       -2.294  -2.955   0.572  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        0.159   0.283  -0.017  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        1.092   1.313  -0.236  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        2.457   1.041  -0.394  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1        4.736  -1.573  -1.125  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1        4.348  -0.606  -0.495  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1        5.168   0.246   0.155  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        4.721   0.864   0.763  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 2