REMARK  Name = BDB057897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.422  -0.217  -1.230  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        1.080  -0.977  -2.321  0.00  0.00    -0.128 NA
ATOM      3  N   LIG    1        0.398  -2.031  -1.892  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1        0.307  -1.937  -0.552  0.00  0.00    -0.247 N 
ATOM      5  C   LIG    1        0.951  -0.830  -0.090  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -0.482  -2.906   0.196  0.00  0.00    +0.126 C 
ATOM      7  C   LIG    1       -1.722  -2.237   0.816  0.00  0.00    +0.135 C 
ATOM      8  N   LIG    1       -1.452  -1.678   2.147  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -1.769  -0.386   2.563  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1       -1.496   0.053   3.676  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -0.802  -2.548   3.123  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1       -0.368  -3.889   2.538  0.00  0.00    +0.021 C 
ATOM     13  C   LIG    1        0.369  -3.686   1.217  0.00  0.00    +0.030 C 
BRANCH   9  14
ATOM     14  C   LIG    1       -2.452   0.513   1.616  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -1.720   1.526   0.992  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -2.359   2.373   0.087  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.721   2.212  -0.178  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.452   1.210   0.465  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.820   0.357   1.369  0.00  0.00    +0.013 A 
ENDBRANCH   9  14
ENDBRANCH   4   6
BRANCH   1  22
ATOM     20  C   LIG    1        3.338   2.724  -2.491  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        2.644   1.513  -2.494  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        2.150   1.036  -1.289  0.00  0.00    +0.093 A 
ATOM     23  N   LIG    1        2.310   1.703  -0.115  0.00  0.00    -0.253 NA
ATOM     24  C   LIG    1        2.987   2.870  -0.144  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1        3.517   3.420  -1.295  0.00  0.00    +0.035 A 
BRANCH  20  27
ATOM     26  O   LIG    1        3.717   2.712  -4.866  0.00  0.00    -0.245 OA
ATOM     27  C   LIG    1        3.865   3.233  -3.777  0.00  0.00    +0.337 C 
BRANCH  27  28
ATOM     28  O   LIG    1        4.562   4.375  -3.635  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        4.850   4.589  -4.548  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH   1  22
TORSDOF 5