REMARK  Name = BDB057359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.663  -0.458   0.028  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1       -0.185  -0.261   0.099  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.725  -1.131   0.660  0.00  0.00    +0.147 A 
ATOM      4  N   LIG    1        2.038  -0.819   0.789  0.00  0.00    -0.196 NA
ATOM      5  C   LIG    1        2.494   0.343   0.303  0.00  0.00    +0.220 A 
ATOM      6  N   LIG    1        1.688   1.216  -0.309  0.00  0.00    -0.222 NA
ATOM      7  N   LIG    1        0.412  -2.408   1.116  0.00  0.00    -0.321 N 
ATOM      8  H   LIG    1        1.262  -2.864   1.427  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -0.523  -3.219   0.597  0.00  0.00    +0.180 A 
ATOM     10  N   LIG    1       -0.394  -4.548   0.554  0.00  0.00    -0.154 NA
ATOM     11  N   LIG    1       -1.518  -4.963  -0.054  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1       -1.646  -5.960  -0.192  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1       -2.369  -3.952  -0.398  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -3.680  -4.187  -1.037  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -1.740  -2.803   0.017  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        0.380   0.898  -0.399  0.00  0.00    +0.128 A 
ATOM     17  N   LIG    1       -2.350  -1.558  -0.048  0.00  0.00    -0.241 NA
ENDROOT
BRANCH   1  22
ATOM     18  C   LIG    1       -4.993   4.292   0.058  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.111   3.078   0.039  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1       -3.175   2.868   1.061  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.377   1.722   1.066  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.512   0.779   0.042  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.468   0.961  -0.961  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -4.263   2.109  -0.961  0.00  0.00    +0.004 A 
ENDBRANCH   1  22
BRANCH   5  25
ATOM     25  N   LIG    1        3.826   0.662   0.458  0.00  0.00    -0.295 N 
ATOM     26  C   LIG    1        4.334   1.810  -0.298  0.00  0.00    +0.136 C 
ATOM     27  C   LIG    1        5.832   1.992  -0.011  0.00  0.00    +0.179 C 
ATOM     28  O   LIG    1        6.631   0.854  -0.371  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        5.917  -0.390  -0.304  0.00  0.00    +0.179 C 
ATOM     30  C   LIG    1        4.789  -0.408   0.741  0.00  0.00    +0.136 C 
ENDBRANCH   5  25
TORSDOF 2