REMARK  Name = BDB003860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.005   0.205   0.074  0.00  0.00    +0.056 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -3.480  -0.203   0.263  0.00  0.00    +0.281 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -3.579  -1.736   0.312  0.00  0.00    +0.348 C 
ATOM      4  O   LIG    1       -3.889  -2.398   1.293  0.00  0.00    -0.247 OA
BRANCH   3   6
ATOM      5  C   LIG    1       -3.338  -3.689  -0.965  0.00  0.00    +0.280 C 
ATOM      6  O   LIG    1       -3.282  -2.262  -0.913  0.00  0.00    -0.465 OA
ENDBRANCH   3   6
ENDBRANCH   2   3
BRANCH   2   7
ATOM      7  O   LIG    1       -3.973   0.441   1.448  0.00  0.00    -0.475 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -5.284   0.818   1.346  0.00  0.00    +0.152 A 
ATOM      9  C   LIG    1       -5.649   2.158   1.193  0.00  0.00    +0.168 A 
ATOM     10  C   LIG    1       -6.992   2.558   1.173  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1       -7.987   1.593   1.317  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -7.637   0.253   1.494  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -6.292  -0.132   1.520  0.00  0.00    +0.048 A 
BRANCH   9  14
ATOM     14  N   LIG    1       -4.635   3.177   1.037  0.00  0.00    +0.060 N 
ATOM     15  O   LIG    1       -4.624   4.096   1.867  0.00  0.00    -0.126 OA
ATOM     16  O   LIG    1       -3.885   3.083   0.055  0.00  0.00    -0.126 OA
ENDBRANCH   9  14
ENDBRANCH   7   8
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.124  -0.092   1.297  0.00  0.00    +0.006 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.329   0.357   1.112  0.00  0.00    +0.019 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.098  -0.495   0.108  0.00  0.00    +0.107 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.479  -0.084   0.017  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        2.959   0.288   0.826  0.00  0.00    +0.152 HD
ATOM     22  C   LIG    1        3.299  -0.544  -0.969  0.00  0.00    +0.401 C 
ATOM     23  O   LIG    1        2.947  -1.206  -1.933  0.00  0.00    -0.226 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.569  -0.167  -0.696  0.00  0.00    -0.446 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.516  -0.606  -1.672  0.00  0.00    +0.269 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.878  -0.115  -1.255  0.00  0.00    -0.010 A 
ATOM     27  C   LIG    1        7.459   0.999  -1.877  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        8.717   1.455  -1.479  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        9.402   0.810  -0.451  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.829  -0.292   0.182  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.572  -0.750  -0.215  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 13