REMARK  Name = BDB043929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.308  -1.074   0.366  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        1.490  -0.221   1.117  0.00  0.00    +0.091 A 
ATOM      3  C   LIG    1        0.105  -0.408   1.161  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -0.467  -1.477   0.450  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        0.353  -2.330  -0.300  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.735  -2.127  -0.344  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.911  -1.729   0.453  0.00  0.00    +0.025 C 
ATOM      8  C   LIG    1       -2.819  -1.078  -0.290  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -2.708  -0.002  -1.279  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -4.019   0.278  -1.683  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -4.322   1.252  -2.614  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -3.257   1.971  -3.159  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.933   1.699  -2.768  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -4.926  -0.550  -1.027  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -5.926  -0.547  -1.149  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -1.651   0.705  -1.823  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -4.281  -1.417  -0.161  0.00  0.00    +0.249 C 
ATOM     18  O   LIG    1       -4.790  -2.268   0.544  0.00  0.00    -0.270 OA
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  O   LIG    1        3.640  -0.766   0.410  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.536  -1.640  -0.277  0.00  0.00    +0.229 C 
BRANCH  20  22
ATOM     21  C   LIG    1        6.391  -1.199   1.392  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1        5.965  -1.145  -0.069  0.00  0.00    +0.038 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   3  23
ATOM     23  O   LIG    1       -0.759   0.380   1.879  0.00  0.00    -0.491 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -0.291   1.671   2.266  0.00  0.00    +0.229 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.470   2.482   2.799  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -2.539   2.719   1.742  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7