REMARK  Name = BDB005058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.266   0.061  -1.784  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.791   1.142  -1.809  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        1.965   1.012  -1.046  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        2.941   2.017  -1.037  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        2.714   3.170  -1.800  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        1.550   3.318  -2.555  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.591   2.308  -2.558  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1        4.135   1.934  -0.294  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1        4.251   2.733   0.323  0.00  0.00    +0.154 HD
BRANCH   8  10
ATOM     10  C   LIG    1        4.735   0.839   0.335  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1        5.279   1.077   1.545  0.00  0.00    -0.238 NA
ATOM     12  C   LIG    1        5.887   0.040   2.172  0.00  0.00    +0.135 A 
ATOM     13  C   LIG    1        6.050  -1.234   1.636  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        5.448  -1.461   0.404  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        4.810  -0.414  -0.265  0.00  0.00    +0.045 A 
BRANCH  13  16
ATOM     16  N   LIG    1        6.582  -2.293   2.376  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1        6.927  -3.062   1.809  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1        7.251  -2.011   3.087  0.00  0.00    +0.142 HD
ENDBRANCH  13  16
ENDBRANCH   8  10
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1       -1.347   0.490  -0.906  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -0.985   0.759   0.005  0.00  0.00    +0.148 HD
BRANCH  19  24
ATOM     21  C   LIG    1       -5.569  -0.806   1.089  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1       -4.480  -1.103   0.241  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -3.478  -0.122   0.103  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -2.390  -0.443  -0.737  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1       -2.324  -1.602  -1.410  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1       -3.324  -2.460  -1.222  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1       -3.594   1.117   0.781  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -4.675   1.390   1.607  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1       -4.385  -2.274  -0.428  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1       -5.659   0.427   1.764  0.00  0.00    +0.015 A 
BRANCH  21  34
ATOM     31  N   LIG    1       -6.672  -2.975   0.724  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1       -5.915  -3.224   0.094  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -7.439  -3.614   0.869  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1       -6.699  -1.757   1.335  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1       -7.638  -1.463   2.069  0.00  0.00    -0.270 OA
ENDBRANCH  21  34
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 7