REMARK  Name = BDB062097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.255  -1.312   1.088  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -0.584  -0.234   0.473  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1        0.748  -0.302   0.171  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1        1.371  -1.462   0.460  0.00  0.00    +0.234 A 
ATOM      5  C   LIG    1        0.708  -2.528   1.037  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -0.606  -2.483   1.359  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.387  -1.335   2.316  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -4.872  -2.370   1.538  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.527  -2.353   1.147  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.667  -1.304   1.514  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.198  -0.280   2.315  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -4.542  -0.294   2.703  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -7.569  -2.271   2.405  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -6.674  -1.226   2.763  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  C   LIG    1       -1.212   1.039   0.071  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -2.366   1.080  -0.728  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -2.943   2.300  -1.095  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -2.378   3.509  -0.687  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -1.222   3.488   0.090  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -0.646   2.265   0.459  0.00  0.00    +0.013 A 
BRANCH  18  21
ATOM     21  O   LIG    1       -3.042   4.624  -1.115  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1       -2.507   5.881  -0.720  0.00  0.00    +0.277 C 
ENDBRANCH  18  21
ENDBRANCH   2  15
BRANCH   4  23
ATOM     23  O   LIG    1        2.712  -1.620   0.181  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.297  -0.473  -0.444  0.00  0.00    +0.234 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.777  -0.768  -0.724  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        4.947  -1.951  -1.691  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1        6.416  -2.160  -2.056  0.00  0.00    +0.081 C 
ATOM     28  N   LIG    1        7.016  -0.947  -2.614  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1        6.521  -0.695  -3.469  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        6.929   0.165  -1.666  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        5.482   0.473  -1.286  0.00  0.00    +0.022 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7