REMARK  Name = BDB058600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.064  -0.993  -0.817  0.00  0.00    +0.053 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        3.471  -1.475  -0.698  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        4.619  -0.730  -0.525  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1        5.695  -1.598  -0.466  0.00  0.00    -0.220 N 
ATOM      5  N   LIG    1        5.255  -2.889  -0.593  0.00  0.00    -0.173 NA
ATOM      6  C   LIG    1        3.935  -2.800  -0.736  0.00  0.00    +0.138 A 
BRANCH   4   7
ATOM      7  C   LIG    1        7.105  -1.339  -0.299  0.00  0.00    +0.180 A 
ATOM      8  C   LIG    1        7.626  -0.044  -0.164  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1        9.021   0.040  -0.012  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        9.630   1.376   0.133  0.00  0.00    +0.259 A 
ATOM     11  N   LIG    1        8.763   2.432   0.105  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1        9.171   3.351   0.203  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        7.421   2.273  -0.045  0.00  0.00    +0.200 A 
ATOM     14  O   LIG    1       10.837   1.532   0.272  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        9.845  -1.083   0.006  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        9.241  -2.307  -0.133  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1        6.841   1.131  -0.174  0.00  0.00    -0.233 NA
ATOM     18  N   LIG    1        7.913  -2.452  -0.282  0.00  0.00    -0.234 NA
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  C   LIG    1        1.347  -0.959   0.545  0.00  0.00    +0.089 C 
BRANCH  19  23
ATOM     20  C   LIG    1       -2.527   0.812   1.245  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1       -1.777   1.131  -0.054  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -0.290   0.793   0.074  0.00  0.00    +0.085 C 
ATOM     23  N   LIG    1       -0.087  -0.615   0.451  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1       -0.753  -0.912   1.732  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1       -2.256  -0.640   1.660  0.00  0.00    +0.023 C 
BRANCH  20  28
ATOM     26  C   LIG    1       -6.215   0.716   0.115  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -4.839   0.444   0.220  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -4.012   1.115   1.142  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1       -4.582   2.081   1.977  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.941   2.370   1.894  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.745   1.695   0.975  0.00  0.00    +0.004 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -7.769   1.020  -1.845  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -7.132  -0.009  -0.887  0.00  0.00    -0.013 C 
ATOM     34  C   LIG    1       -8.249  -0.752  -0.123  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1       -6.403  -1.056  -1.760  0.00  0.00    +0.015 C 
ENDBRANCH  26  33
ENDBRANCH  20  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6