REMARK  Name = BDB058415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.817  -1.080   2.062  0.00  0.00    +0.031 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.622  -0.343   2.333  0.00  0.00    -0.076 C 
ATOM      3  C   LIG    1       -0.344  -1.086   1.755  0.00  0.00    -0.028 C 
ATOM      4  C   LIG    1        0.386   0.683   3.410  0.00  0.00    +0.039 C 
BRANCH   2   5
ATOM      5  C   LIG    1        2.071  -0.520   1.917  0.00  0.00    +0.034 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.549   0.584   0.968  0.00  0.00    +0.032 C 
BRANCH   6   8
ATOM      7  C   LIG    1        4.429  -0.156  -0.600  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1        3.983   0.376   0.557  0.00  0.00    -0.016 C 
ATOM      9  C   LIG    1        3.556  -0.700  -1.695  0.00  0.00    +0.051 C 
BRANCH   7  10
ATOM     10  C   LIG    1        5.896  -0.274  -0.894  0.00  0.00    +0.335 C 
ATOM     11  O   LIG    1        6.327  -0.803  -1.908  0.00  0.00    -0.245 OA
BRANCH  10  12
ATOM     12  O   LIG    1        6.649   0.290   0.084  0.00  0.00    -0.461 OA
BRANCH  12  13
ATOM     13  C   LIG    1        8.073   0.250  -0.093  0.00  0.00    +0.232 C 
BRANCH  13  15
ATOM     14  C   LIG    1        8.127   2.127  -1.803  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1        8.601   1.639  -0.442  0.00  0.00    +0.038 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   7  10
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -2.593  -0.281   1.012  0.00  0.00    +0.052 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.124  -0.195   1.245  0.00  0.00    +0.108 C 
ATOM     18  O   LIG    1       -4.692   0.581   0.167  0.00  0.00    -0.485 OA
ATOM     19  C   LIG    1       -4.988  -0.075  -1.000  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1       -5.019  -1.473  -1.107  0.00  0.00    -0.002 A 
ATOM     21  C   LIG    1       -5.316  -2.064  -2.344  0.00  0.00    +0.052 A 
ATOM     22  C   LIG    1       -5.603  -1.260  -3.442  0.00  0.00    +0.118 A 
ATOM     23  C   LIG    1       -5.595   0.125  -3.335  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1       -4.709  -2.345   0.074  0.00  0.00    +0.043 C 
ATOM     25  C   LIG    1       -5.288   0.733  -2.110  0.00  0.00    -0.005 A 
ATOM     26  C   LIG    1       -5.275   2.231  -1.998  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -4.837  -1.551   1.364  0.00  0.00    +0.052 C 
ATOM     28  C   LIG    1       -4.417   0.622   2.514  0.00  0.00    +0.055 C 
BRANCH  22  29
ATOM     29  O   LIG    1       -5.903  -1.800  -4.658  0.00  0.00    -0.507 OA
ATOM     30  H   LIG    1       -5.873  -2.768  -4.585  0.00  0.00    +0.292 HD
ENDBRANCH  22  29
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 11