REMARK  Name = BDB032026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.577   0.262  -0.388  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.248   0.077  -0.262  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.466   1.200  -0.161  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -1.857   1.314  -0.018  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -2.190   2.682   0.098  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -0.979   3.394  -0.027  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -0.825   4.818   0.051  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.295   3.164   0.276  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        0.054   2.472  -0.172  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        1.399   2.582  -0.301  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        2.173   1.480  -0.412  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.745   0.175   0.129  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -3.951   0.230  -0.833  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -5.278   0.453  -0.111  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -5.557  -0.611   0.968  0.00  0.00    +0.063 C 
ATOM     16  C   LIG    1       -6.278  -1.826   0.376  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -4.277  -1.055   1.706  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -3.166  -0.014   1.596  0.00  0.00    +0.028 C 
BRANCH  15  19
ATOM     19  O   LIG    1       -6.447  -0.011   1.916  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -6.676  -0.677   2.585  0.00  0.00    +0.210 HD
ENDBRANCH  15  19
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        2.311  -0.917  -0.503  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1        1.665  -1.691  -0.461  0.00  0.00    +0.155 HD
BRANCH  21  25
ATOM     23  C   LIG    1        3.091  -3.696  -0.862  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1        4.083  -2.565  -0.781  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        3.674  -1.225  -0.599  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.677  -0.246  -0.551  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        6.044  -0.568  -0.663  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        6.440  -1.900  -0.834  0.00  0.00    +0.094 A 
ATOM     29  N   LIG    1        7.740  -2.226  -0.942  0.00  0.00    -0.149 NA
ATOM     30  N   LIG    1        8.713  -1.262  -0.888  0.00  0.00    -0.157 NA
ATOM     31  C   LIG    1        8.357   0.023  -0.726  0.00  0.00    +0.135 A 
ATOM     32  C   LIG    1        7.039   0.412  -0.609  0.00  0.00    +0.031 A 
ATOM     33  C   LIG    1        5.454  -2.874  -0.890  0.00  0.00    +0.035 A 
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 4