REMARK  Name = BDB055698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.621  -2.592  -0.168  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.613  -1.801   0.427  0.00  0.00    -0.295 N 
ATOM      3  O   LIG    1       -0.832  -3.354  -1.111  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1        2.945  -1.464   0.144  0.00  0.00    +0.163 A 
ATOM      5  C   LIG    1        3.479  -2.435   1.013  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        2.649  -3.473   1.461  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        1.303  -3.524   1.085  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.774  -2.516   0.283  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        1.594  -1.503  -0.213  0.00  0.00    +0.062 A 
BRANCH   5  10
ATOM     10  O   LIG    1        4.790  -2.294   1.383  0.00  0.00    -0.491 OA
ATOM     11  C   LIG    1        5.319  -3.216   2.326  0.00  0.00    +0.277 C 
ENDBRANCH   5  10
BRANCH   4  12
ATOM     12  O   LIG    1        3.623  -0.392  -0.379  0.00  0.00    -0.488 OA
BRANCH  12  13
ATOM     13  C   LIG    1        4.928  -0.681  -0.885  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.242   0.270  -2.041  0.00  0.00    +0.069 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.653   1.671  -1.582  0.00  0.00    +0.163 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.546   2.773  -1.505  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        4.686   2.338  -0.778  0.00  0.00    -0.383 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   4  12
ENDBRANCH   1   8
BRANCH   2  18
ATOM     18  C   LIG    1       -1.534  -1.117   1.742  0.00  0.00    +0.070 C 
ATOM     19  C   LIG    1       -0.407  -0.098   1.901  0.00  0.00    +0.028 C 
ATOM     20  C   LIG    1       -1.552  -2.114   2.901  0.00  0.00    +0.028 C 
ENDBRANCH   2  18
BRANCH   2  21
ATOM     21  C   LIG    1       -2.962  -1.931  -0.149  0.00  0.00    +0.113 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.301  -0.938  -1.269  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -3.181   0.554  -0.935  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -3.063   1.215  -2.317  0.00  0.00    +0.085 C 
ATOM     25  N   LIG    1       -2.844   0.131  -3.281  0.00  0.00    -0.315 NA
ATOM     26  H   LIG    1       -2.129   0.384  -3.961  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -2.432  -1.046  -2.512  0.00  0.00    +0.086 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.351   1.084  -0.099  0.00  0.00    +0.040 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.172   2.529   0.306  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1       -3.253   2.881   1.304  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -3.069   4.218   1.659  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.803   5.216   1.023  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.724   4.877   0.033  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.910   3.541  -0.323  0.00  0.00    +0.003 A 
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 12