REMARK  Name = BDB025446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.167   0.367   1.605  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        2.709   0.258   0.292  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        1.248   0.173   0.138  0.00  0.00    +0.163 C 
ATOM      4  C   LIG    1        0.851   0.372  -1.280  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        1.737   0.541  -2.329  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.946   0.752  -3.456  0.00  0.00    +0.142 A 
ATOM      7  N   LIG    1       -0.342   0.723  -3.166  0.00  0.00    -0.149 NA
ATOM      8  C   LIG    1        3.207   0.506  -2.147  0.00  0.00    +0.059 C 
ATOM      9  N   LIG    1       -0.431   0.448  -1.826  0.00  0.00    -0.200 N 
ATOM     10  C   LIG    1       -1.744   0.276  -1.303  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -2.710   0.542  -2.017  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        3.548  -0.209  -0.831  0.00  0.00    +0.113 C 
ATOM     13  O   LIG    1        2.385   0.485   2.549  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1       -1.869  -0.318   0.088  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1       -3.194   0.039   0.748  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -4.214  -0.919   0.883  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -5.394  -0.561   1.548  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -5.593   0.741   2.011  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.600   1.698   1.838  0.00  0.00    +0.000 A 
ATOM     20  N   LIG    1       -4.027  -2.260   0.509  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1       -4.910  -2.699   0.258  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1       -2.971  -2.505  -0.459  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1       -3.403   1.350   1.215  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -1.684  -1.840   0.009  0.00  0.00    +0.036 C 
ENDBRANCH  10  14
BRANCH   6  25
ATOM     25  N   LIG    1        1.415   0.977  -4.688  0.00  0.00    -0.341 N 
ATOM     26  H   LIG    1        0.723   1.322  -5.348  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        2.318   1.417  -4.811  0.00  0.00    +0.144 HD
ENDBRANCH   6  25
BRANCH   1  29
ATOM     28  C   LIG    1        5.055   0.573   3.272  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        4.672   0.345   1.818  0.00  0.00    +0.092 C 
ENDBRANCH   1  29
TORSDOF 3