REMARK  Name = BDB022962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.572  -3.733   0.582  0.00  0.00    +0.014 C 
ATOM      2  C   LIG    1        0.997  -2.790   1.713  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        1.952  -1.749   1.198  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1        1.559  -0.453   0.912  0.00  0.00    +0.070 A 
ATOM      5  N   LIG    1        2.420   0.467   0.416  0.00  0.00    -0.217 NA
ATOM      6  C   LIG    1        3.693   0.099   0.223  0.00  0.00    +0.216 A 
ATOM      7  N   LIG    1        4.156  -1.130   0.469  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.123   0.007   1.139  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        0.086   1.098   2.218  0.00  0.00    +0.035 C 
ATOM     10  N   LIG    1       -0.795  -1.099   1.492  0.00  0.00    -0.292 N 
ATOM     11  C   LIG    1       -2.178  -1.061   1.327  0.00  0.00    +0.220 C 
ATOM     12  O   LIG    1       -2.908  -1.869   1.906  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        3.279  -2.028   0.950  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1       -0.228  -2.129   2.364  0.00  0.00    +0.116 C 
ENDROOT
BRANCH  11  15
ATOM     15  C   LIG    1       -2.765  -0.040   0.344  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -4.277   0.179   0.604  0.00  0.00    +0.045 C 
ATOM     17  C   LIG    1       -5.159  -0.929  -0.028  0.00  0.00    +0.093 C 
ATOM     18  N   LIG    1       -4.806  -1.263  -1.419  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -5.674  -2.330  -1.920  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -3.399  -1.652  -1.525  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -2.491  -0.500  -1.096  0.00  0.00    +0.029 C 
BRANCH  16  22
ATOM     22  C   LIG    1       -4.684   1.608   0.239  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -4.613   2.607   1.226  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -4.952   3.930   0.936  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.362   4.278  -0.348  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.431   3.303  -1.339  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.092   1.979  -1.049  0.00  0.00    +0.004 A 
ENDBRANCH  16  22
ENDBRANCH  11  15
BRANCH   6  28
ATOM     28  N   LIG    1        4.525   1.095  -0.268  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        3.891   1.790  -0.649  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.612   0.660  -1.144  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        6.829   0.235  -0.306  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        8.115   0.439  -1.088  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        8.340   1.799  -1.460  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        7.162   2.597  -1.571  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        5.982   1.804  -2.106  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH   6  28
TORSDOF 4