REMARK  Name = BDB027790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.849  -0.019  -0.059  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1       -2.727  -0.753   0.641  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1       -2.243  -1.819   1.286  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.901  -2.198   1.226  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.471  -3.329   1.962  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -1.393  -4.041   2.707  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.694  -3.713   2.770  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.075  -1.391   0.418  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -3.071  -2.615   2.064  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1       -0.542  -0.292  -0.195  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -0.305   2.679  -1.192  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1       -1.740   2.310  -1.256  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -2.376   1.144  -0.749  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -3.712   1.338  -1.041  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1       -3.797   2.533  -1.687  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1       -4.625   2.993  -2.049  0.00  0.00    +0.188 HD
ATOM     17  N   LIG    1       -2.614   3.143  -1.841  0.00  0.00    -0.178 NA
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1        1.282  -1.745   0.288  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1        1.331  -2.723   0.014  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.203  -0.950  -0.543  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1        1.795  -0.990  -2.022  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        2.541   0.414   0.043  0.00  0.00    -0.025 A 
ATOM     23  C   LIG    1        2.468   0.648   1.424  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        2.832   1.888   1.927  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        3.285   2.904   1.164  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        3.375   2.664  -0.159  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        3.029   1.458  -0.754  0.00  0.00    +0.025 A 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 4