REMARK  Name = BDB062862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.436   0.992  -1.767  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.972   0.771  -0.690  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1        0.558  -0.171   0.225  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        1.047  -0.255   1.107  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.117   1.589  -0.257  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        3.382   1.065  -0.032  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        3.972  -0.254  -0.210  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        5.311  -0.222   0.220  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        5.609   1.153   0.664  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        6.661   1.563   1.106  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        6.158  -1.313   0.184  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        5.638  -2.502  -0.323  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.309  -2.560  -0.782  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.472  -1.435  -0.734  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.372   1.933   0.467  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        4.171   3.281   0.714  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        2.906   3.799   0.444  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.886   2.960  -0.037  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1       -0.547  -1.074  -0.043  0.00  0.00    +0.105 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.896  -0.349  -0.017  0.00  0.00    +0.038 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.104  -1.287   0.194  0.00  0.00    +0.129 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.342  -0.462   0.537  0.00  0.00    -0.034 A 
ATOM     23  C   LIG    1       -5.026  -0.694   1.741  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.178   0.031   2.052  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.659   0.993   1.167  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.989   1.234  -0.030  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.837   0.513  -0.345  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1       -3.310  -2.255  -0.977  0.00  0.00    +0.312 C 
ATOM     29  O   LIG    1       -2.389  -2.769  -1.598  0.00  0.00    -0.250 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -4.591  -2.597  -1.247  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -5.267  -2.152  -0.699  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  21  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7