REMARK  Name = BDB002875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.362   1.968   0.705  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.579   1.517   1.558  0.00  0.00    -0.219 NA
ATOM      3  C   LIG    1        1.846   1.430   1.079  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1        2.220   1.790  -0.215  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        1.216   2.275  -1.058  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -0.095   2.371  -0.594  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.528   1.708  -0.737  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        3.649   2.031  -1.690  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        4.646   1.213  -0.095  0.00  0.00    +0.217 C 
ATOM     10  O   LIG    1        4.686   0.738   1.037  0.00  0.00    -0.275 OA
BRANCH   9  11
ATOM     11  C   LIG    1        5.887   1.278  -0.972  0.00  0.00    +0.096 C 
BRANCH  11  12
ATOM     12  C   LIG    1        7.139   0.764  -0.257  0.00  0.00    +0.020 C 
BRANCH  12  13
ATOM     13  C   LIG    1        7.078  -0.737   0.035  0.00  0.00    +0.121 C 
BRANCH  13  14
ATOM     14  C   LIG    1        7.405  -1.053   1.474  0.00  0.00    +0.305 C 
ATOM     15  O   LIG    1        8.412  -1.653   1.820  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        6.473  -0.632   2.356  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1        5.712  -0.150   1.946  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  O   LIG    1       -1.639   2.100   1.209  0.00  0.00    -0.438 OA
BRANCH  18  22
ATOM     19  C   LIG    1       -4.497  -0.721  -0.035  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -4.745   0.663  -0.069  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -3.778   1.585   0.348  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -2.535   1.144   0.788  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1       -2.268  -0.220   0.854  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.238  -1.140   0.443  0.00  0.00    +0.008 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -6.839  -1.145  -1.040  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -5.543  -1.763  -0.468  0.00  0.00    -0.013 C 
ATOM     27  C   LIG    1       -4.956  -2.679  -1.564  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -5.942  -2.622   0.752  0.00  0.00    +0.015 C 
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 9