REMARK  Name = BDB001727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.738   0.226  -1.024  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -1.011   1.134   0.005  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -2.241   1.792   0.062  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -3.221   1.550  -0.910  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.949   0.637  -1.936  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.719  -0.020  -1.991  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.586  -0.498  -1.074  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1        0.514  -1.843  -0.343  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.822  -2.631  -0.425  0.00  0.00    +0.059 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.706  -2.850   2.826  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.259  -2.121   1.673  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        2.933  -2.006   0.339  0.00  0.00    +0.083 A 
ATOM     13  N   LIG    1        3.827  -1.163  -0.281  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.655  -0.799   0.681  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.364  -1.350   1.903  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.809   0.095   0.617  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.148   0.700  -0.603  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.245   1.560  -0.696  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.018   1.826   0.432  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.696   1.234   1.651  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.598   0.373   1.743  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.566   2.238  -0.833  0.00  0.00    +0.073 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.558   1.498   0.080  0.00  0.00    +0.221 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.958   0.211  -0.458  0.00  0.00    -0.238 N 
ATOM     25  N   LIG    1       -6.587   0.124  -1.646  0.00  0.00    -0.065 NA
ATOM     26  N   LIG    1       -6.793  -1.162  -1.895  0.00  0.00    -0.138 NA
ATOM     27  C   LIG    1       -6.285  -1.882  -0.852  0.00  0.00    +0.156 A 
ATOM     28  C   LIG    1       -5.743  -1.027   0.076  0.00  0.00    +0.131 A 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -6.798   2.299   0.410  0.00  0.00    +0.330 C 
ATOM     30  O   LIG    1       -7.692   1.944   1.167  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.871   3.517  -0.163  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -7.743   3.867   0.122  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10