REMARK  Name = BDB047090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.464  -1.359  -0.502  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.623  -0.629  -0.199  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.797  -0.782  -0.955  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -2.780  -1.696  -2.022  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -1.633  -2.437  -2.321  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.476  -2.273  -1.561  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -4.012  -0.014  -0.632  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -4.538  -0.004   0.668  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -5.701   0.724   0.988  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -6.377   1.473   0.002  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -7.496   2.175   0.299  0.00  0.00    -0.251 NA
ATOM     12  C   LIG    1       -7.961   2.151   1.566  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -7.363   1.446   2.589  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -5.835   1.455  -1.290  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1       -6.215   0.722   2.293  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -4.680   0.731  -1.611  0.00  0.00    +0.056 A 
BRANCH  14  17
ATOM     17  O   LIG    1       -6.460   2.176  -2.284  0.00  0.00    -0.505 OA
ATOM     18  H   LIG    1       -5.946   2.116  -3.102  0.00  0.00    +0.292 HD
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  20
ATOM     19  O   LIG    1        0.621  -0.779   1.505  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        0.743  -1.152   0.345  0.00  0.00    +0.244 C 
ATOM     21  N   LIG    1        1.961  -1.372  -0.268  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1        1.979  -1.361  -1.279  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.195  -1.028   0.414  0.00  0.00    +0.105 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.381  -1.776  -0.190  0.00  0.00    +0.023 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.690  -1.515   0.560  0.00  0.00    +0.036 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.191  -0.100   0.416  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1        6.048   0.817   1.466  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.499   2.130   1.325  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.096   2.540   0.134  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.243   1.637  -0.916  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.793   0.323  -0.778  0.00  0.00    +0.003 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  20
TORSDOF 7