REMARK  Name = BDB003925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.541   2.778   2.741  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.914   1.729   1.837  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -1.021   0.926   1.117  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.768   0.083   0.292  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -1.156  -0.807  -0.563  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        0.245  -0.841  -0.564  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        1.010  -0.003   0.283  0.00  0.00    -0.023 A 
ATOM      8  N   LIG    1       -3.128   0.354   0.517  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1        0.360   0.909   1.130  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -3.230   1.413   1.451  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1       -4.258   1.945   1.838  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -4.250  -0.224  -0.205  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -4.721   0.798  -1.260  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -3.955   1.580  -1.827  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.043   0.774  -1.651  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.260   1.545  -2.271  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.817  -0.316  -1.964  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.715  -0.201  -2.798  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.469  -1.659  -1.372  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -6.337  -1.675   0.144  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -5.383  -0.639   0.741  0.00  0.00    +0.035 C 
ENDBRANCH   8  12
BRANCH   7  22
ATOM     22  C   LIG    1        2.475  -0.077   0.201  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1        3.287   0.031   1.265  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.763  -0.051   1.205  0.00  0.00    +0.332 C 
ATOM     25  O   LIG    1        5.447   0.060   2.210  0.00  0.00    -0.246 OA
BRANCH  24  26
ATOM     26  O   LIG    1        5.197  -0.253  -0.059  0.00  0.00    -0.456 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.614  -0.361  -0.347  0.00  0.00    +0.106 C 
ATOM     28  C   LIG    1        7.234  -1.573   0.356  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        7.351   0.939  -0.005  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        6.688  -0.582  -1.865  0.00  0.00    +0.055 C 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   7  22
TORSDOF 5