REMARK  Name = BDB065097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.445   0.713   1.650  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.317   1.026   0.604  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1        1.818   1.291  -0.676  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.467   1.194  -0.969  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -0.418   0.822   0.053  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -1.774   0.717  -0.320  0.00  0.00    +0.131 A 
ATOM      7  N   LIG    1       -2.191   1.002  -1.563  0.00  0.00    -0.203 NA
ATOM      8  C   LIG    1       -1.252   1.361  -2.451  0.00  0.00    +0.234 A 
ATOM      9  N   LIG    1        0.065   1.455  -2.215  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        0.084   0.594   1.363  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        1.108   0.717   4.004  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        1.981   0.532   2.895  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   8  13
ATOM     13  C   LIG    1       -1.699   1.645  -3.791  0.00  0.00    +0.140 C 
ATOM     14  N   LIG    1       -2.062   1.868  -4.875  0.00  0.00    -0.188 NA
ENDBRANCH   8  13
BRANCH   6  15
ATOM     15  N   LIG    1       -2.725   0.332   0.645  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -2.434  -0.538   1.083  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -4.138   0.285   0.228  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -4.455  -0.999  -0.536  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -5.927  -1.014  -0.962  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1       -6.843  -0.335  -0.021  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1       -6.334  -0.419   1.350  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -5.018   0.357   1.488  0.00  0.00    +0.037 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -8.247  -0.790  -0.174  0.00  0.00    +0.050 C 
ATOM     24  C   LIG    1       -9.221   0.042   0.678  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -8.728  -0.699  -1.633  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   2  26
ATOM     26  O   LIG    1        3.673   1.183   0.742  0.00  0.00    -0.488 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.324   0.048   1.324  0.00  0.00    +0.230 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.754  -0.032   0.786  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.776  -0.265  -0.734  0.00  0.00    +0.088 C 
BRANCH  29  30
ATOM     30  N   LIG    1        7.098  -0.421  -1.349  0.00  0.00    -0.298 NA
ATOM     31  C   LIG    1        7.762  -1.692  -1.020  0.00  0.00    +0.112 C 
ATOM     32  C   LIG    1        9.255  -1.645  -1.378  0.00  0.00    +0.175 C 
ATOM     33  O   LIG    1        9.976  -0.666  -0.616  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1        9.175   0.460  -0.233  0.00  0.00    +0.175 C 
ATOM     35  C   LIG    1        7.998   0.732  -1.187  0.00  0.00    +0.112 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 10