REMARK  Name = BDB057789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.546   1.200  -0.802  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -3.148  -0.029  -1.076  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1       -2.331  -1.136  -1.320  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.936  -1.013  -1.296  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.314   0.211  -1.015  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -1.151   1.313  -0.777  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        1.081   0.389  -0.981  0.00  0.00    -0.330 N 
ATOM      8  C   LIG    1        1.906  -0.612  -1.660  0.00  0.00    +0.106 C 
ATOM      9  C   LIG    1        3.338  -0.097  -1.807  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1        3.959   0.275  -0.441  0.00  0.00    +0.060 C 
ATOM     11  C   LIG    1        3.011   1.280   0.253  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        1.581   0.752   0.353  0.00  0.00    +0.106 C 
BRANCH  10  13
ATOM     13  N   LIG    1        5.339   0.824  -0.584  0.00  0.00    -0.299 NA
ATOM     14  C   LIG    1        6.277  -0.057  -1.306  0.00  0.00    +0.084 C 
ATOM     15  C   LIG    1        6.659  -1.315  -0.521  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1        7.234  -0.957   0.847  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1        6.341   0.036   1.585  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1        5.972   1.222   0.689  0.00  0.00    +0.084 C 
ENDBRANCH  10  13
ENDBRANCH   5   7
BRANCH   2  19
ATOM     19  C   LIG    1       -4.652  -0.165  -1.085  0.00  0.00    +0.050 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.199  -0.464   0.322  0.00  0.00    +0.089 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -6.661  -0.673   0.320  0.00  0.00    -0.302 NA
ATOM     22  C   LIG    1       -7.411   0.588   0.204  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1       -7.530   1.146   1.617  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1       -7.297  -0.044   2.536  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -7.121  -1.231   1.602  0.00  0.00    +0.084 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 5