REMARK  Name = BDB032548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.602   0.820   0.120  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        1.047   1.953  -0.456  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        1.623   2.892  -0.971  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.409   1.823  -0.332  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.399   2.713  -0.706  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -2.722   2.328  -0.482  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -3.016   1.083   0.103  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1       -4.345   0.783   0.235  0.00  0.00    -0.479 OA
ATOM      9  C   LIG    1       -4.610  -0.557   0.684  0.00  0.00    +0.236 C 
ATOM     10  C   LIG    1       -3.525  -1.077   1.626  0.00  0.00    +0.276 C 
ATOM     11  O   LIG    1       -2.211  -1.002   1.070  0.00  0.00    -0.484 OA
ATOM     12  C   LIG    1       -1.989   0.213   0.492  0.00  0.00    +0.167 A 
ATOM     13  C   LIG    1       -0.683   0.589   0.252  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        0.584  -0.150   0.512  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1        6.239  -2.066  -0.365  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        5.326  -1.250  -0.283  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1        4.474  -1.032  -1.336  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1        4.610  -1.647  -2.128  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1        3.232  -0.443  -1.267  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1        2.392  -0.666  -2.136  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        3.008   0.478  -0.056  0.00  0.00    +0.163 C 
ATOM     22  C   LIG    1        3.610  -0.175   1.185  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        5.093  -0.420   0.957  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
BRANCH   9  24
ATOM     24  C   LIG    1       -4.916  -1.472  -0.514  0.00  0.00    +0.203 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -3.782  -1.780  -1.314  0.00  0.00    -0.391 OA
ATOM     26  H   LIG    1       -3.420  -0.937  -1.641  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 3