REMARK  Name = BDB007940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.407  -0.448   2.306  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        1.115  -0.122   3.779  0.00  0.00    +0.027 C 
ATOM      3  C   LIG    1       -0.348  -0.394   4.126  0.00  0.00    +0.085 C 
ATOM      4  N   LIG    1       -1.308   0.311   3.263  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1       -1.035   0.027   1.843  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1        0.409   0.287   1.406  0.00  0.00    +0.027 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.839  -0.059   1.942  0.00  0.00    +0.166 C 
ATOM      8  O   LIG    1        3.480   0.740   2.624  0.00  0.00    -0.292 OA
BRANCH   7  12
ATOM      9  C   LIG    1        4.818  -1.646  -1.554  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1        3.571  -2.148  -1.173  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        2.907  -1.655  -0.043  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        3.486  -0.639   0.722  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        4.737  -0.136   0.337  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.398  -0.633  -0.794  0.00  0.00    +0.046 A 
BRANCH   9  15
ATOM     15  O   LIG    1        5.339  -2.221  -2.676  0.00  0.00    -0.489 OA
BRANCH  15  17
ATOM     16  C   LIG    1        7.215  -3.086  -3.847  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1        6.667  -1.879  -3.089  0.00  0.00    +0.167 C 
ATOM     18  C   LIG    1        6.630  -0.660  -4.007  0.00  0.00    +0.051 C 
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1       -1.332   1.767   3.558  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.590   2.411   2.966  0.00  0.00    +0.227 C 
ATOM     21  N   LIG    1       -3.722   1.632   3.082  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -3.539   0.646   3.257  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1       -2.600   3.517   2.430  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.975   2.018   2.467  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.922   1.689   0.983  0.00  0.00    +0.127 A 
ATOM     26  N   LIG    1       -4.116   2.497   0.225  0.00  0.00    -0.309 N 
ATOM     27  H   LIG    1       -3.556   3.218   0.675  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1       -3.899   2.276  -1.102  0.00  0.00    +0.257 A 
ATOM     29  O   LIG    1       -3.115   2.937  -1.771  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -4.678   1.166  -1.678  0.00  0.00    +0.064 A 
ATOM     31  C   LIG    1       -4.533   0.885  -3.138  0.00  0.00    +0.202 C 
ATOM     32  O   LIG    1       -5.099  -0.385  -3.505  0.00  0.00    -0.375 OA
ATOM     33  C   LIG    1       -6.397  -0.572  -2.936  0.00  0.00    +0.166 C 
ATOM     34  C   LIG    1       -6.291  -0.671  -1.415  0.00  0.00    +0.084 C 
ATOM     35  C   LIG    1       -5.466   0.459  -0.853  0.00  0.00    +0.056 A 
ATOM     36  N   LIG    1       -5.591   0.692   0.496  0.00  0.00    -0.237 NA
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 8