REMARK  Name = BDB031591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.679  -0.172  -0.146  0.00  0.00    -0.288 N 
ATOM      2  H   LIG    1        0.196   0.545   0.401  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1       -0.097  -1.208  -0.578  0.00  0.00    +0.308 C 
ATOM      4  N   LIG    1       -1.451  -1.010  -0.527  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -2.152   0.079  -0.009  0.00  0.00    +0.132 A 
ATOM      6  C   LIG    1       -3.517  -0.129  -0.144  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1       -4.402   0.828   0.318  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.867   1.968   0.912  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -2.482   2.090   1.008  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -3.809  -1.425  -0.822  0.00  0.00    +0.058 C 
ATOM     11  N   LIG    1       -1.602   1.165   0.557  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1       -2.404  -2.022  -0.981  0.00  0.00    +0.121 C 
ATOM     13  O   LIG    1        0.397  -2.251  -1.007  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        5.947   1.252  -0.287  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.827   0.757  -0.201  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.985   1.092   0.829  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        4.321   1.819   1.445  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        2.641   0.814   0.920  0.00  0.00    +0.240 C 
ATOM     19  O   LIG    1        1.939   1.403   1.740  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        2.119  -0.282  -0.017  0.00  0.00    +0.161 C 
ATOM     21  C   LIG    1        2.815  -0.159  -1.369  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        4.319  -0.273  -1.181  0.00  0.00    +0.098 C 
ENDBRANCH   1  20
TORSDOF 1