REMARK  Name = BDB051761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.745   2.676  -2.515  0.00  0.00    +0.263 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.337   3.776  -1.534  0.00  0.00    +0.047 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -0.538   3.311  -0.317  0.00  0.00    +0.047 C 
BRANCH   3   4
ATOM      4  C   LIG    1        0.696   2.483  -0.648  0.00  0.00    +0.263 C 
BRANCH   4   5
ATOM      5  O   LIG    1        1.297   2.084   0.586  0.00  0.00    -0.394 OA
BRANCH   5   8
ATOM      6  C   LIG    1        2.424   1.172   2.794  0.00  0.00    +0.069 C 
ATOM      7  C   LIG    1        2.705   0.569   1.433  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1        2.151   1.003   0.338  0.00  0.00    -0.089 NA
BRANCH   7   9
ATOM      9  C   LIG    1        3.663  -0.573   1.344  0.00  0.00    -0.001 A 
ATOM     10  C   LIG    1        3.513  -1.507   0.311  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        4.397  -2.590   0.180  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1        4.198  -3.569  -0.945  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        5.452  -2.733   1.103  0.00  0.00    -0.048 A 
ATOM     14  C   LIG    1        6.434  -3.869   1.003  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        5.601  -1.786   2.128  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        4.716  -0.712   2.248  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
ENDBRANCH   5   8
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1       -2.157   1.476  -1.864  0.00  0.00    -0.394 OA
BRANCH  17  18
ATOM     18  N   LIG    1       -3.384   1.669  -1.221  0.00  0.00    -0.089 NA
ATOM     19  C   LIG    1       -3.738   0.616  -0.540  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.948  -0.630  -0.392  0.00  0.00    -0.001 A 
ATOM     21  C   LIG    1       -3.473  -1.839  -0.857  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.734  -3.013  -0.704  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -1.480  -2.976  -0.092  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -0.960  -1.767   0.372  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -1.695  -0.592   0.226  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1       -5.070   0.680   0.191  0.00  0.00    +0.070 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.190   1.053  -0.773  0.00  0.00    +0.127 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.493   2.532  -0.759  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1       -7.575   2.991  -0.424  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.478   3.314  -1.182  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1       -4.648   2.813  -1.377  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  19  26
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 13