REMARK  Name = BDB058595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.787  -0.137  -0.071  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        0.528   0.179  -0.355  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1        1.351  -0.700   0.325  0.00  0.00    -0.220 N 
ATOM      4  N   LIG    1        0.589  -1.579   1.044  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1       -0.672  -1.234   0.801  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.790  -0.801   0.369  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1        3.632   0.067  -0.343  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        5.011  -0.163  -0.194  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        5.949   0.716  -0.917  0.00  0.00    +0.259 A 
ATOM     10  N   LIG    1        5.378   1.695  -1.683  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1        6.013   2.302  -2.182  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1        4.032   1.856  -1.778  0.00  0.00    +0.200 A 
ATOM     13  O   LIG    1        7.163   0.580  -0.840  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        5.522  -1.183   0.606  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        4.618  -1.978   1.262  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1        3.172   1.117  -1.168  0.00  0.00    -0.233 NA
ATOM     17  N   LIG    1        3.288  -1.809   1.161  0.00  0.00    -0.234 NA
ENDBRANCH   3   6
BRANCH   1  22
ATOM     18  C   LIG    1       -5.706   0.345  -0.332  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1       -4.664  -0.468   0.290  0.00  0.00    -0.305 NA
ATOM     20  C   LIG    1       -3.817   0.307   1.201  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1       -2.837   1.249   0.499  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -2.012   0.562  -0.597  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -2.887  -0.332  -1.486  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1       -3.864  -1.203  -0.694  0.00  0.00    +0.084 C 
ENDBRANCH   1  22
TORSDOF 2