REMARK  Name = BDB055589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.387   0.441   0.620  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -2.007  -0.688   1.353  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.744  -1.259   1.175  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.168  -0.707   0.273  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.203   0.414  -0.468  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.469   0.986  -0.290  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.821   0.721  -0.012  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -3.713   1.047   0.802  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1       -3.884   1.993   1.831  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -5.118   2.603   2.056  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.207   2.277   1.256  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.061   1.342   0.233  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.147  -1.692  -0.654  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -4.744  -0.302  -1.126  0.00  0.00    +0.032 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  15
ATOM     15  O   LIG    1        1.363  -1.366   0.198  0.00  0.00    -0.477 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.470  -0.695  -0.411  0.00  0.00    +0.285 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.482  -0.850  -1.939  0.00  0.00    +0.346 C 
ATOM     18  O   LIG    1        1.837  -1.677  -2.568  0.00  0.00    -0.247 OA
BRANCH  17  19
ATOM     19  O   LIG    1        3.276   0.049  -2.575  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1        3.795   0.634  -1.987  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
BRANCH  16  21
ATOM     21  C   LIG    1        3.734  -1.349   0.175  0.00  0.00    +0.091 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.971  -0.496   0.029  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1        5.945  -0.813  -0.927  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        7.066   0.003  -1.089  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.225   1.137  -0.296  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.266   1.456   0.664  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.144   0.643   0.828  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 8