REMARK  Name = BDB047451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.342   0.477   0.068  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.343   1.272   0.997  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        1.652   0.785   1.092  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.544   1.394   2.003  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.118   2.462   2.796  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.811   2.917   2.711  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.747  -0.304   0.186  0.00  0.00    +0.168 A 
ATOM      8  C   LIG    1       -0.096   2.326   1.827  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.527  -0.485  -0.435  0.00  0.00    +0.175 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.900  -0.453  -0.622  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1       -2.534  -0.554  -0.314  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.730   0.595  -0.245  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -2.289   1.853  -0.489  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -3.644   1.960  -0.798  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.443   0.818  -0.864  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.875  -1.680   0.358  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -4.753  -1.708  -0.684  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1       -5.318  -1.934  -2.088  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   9  19
ATOM     19  C   LIG    1        0.246  -1.442  -1.463  0.00  0.00    +0.358 C 
ATOM     20  O   LIG    1        0.530  -2.629  -1.486  0.00  0.00    -0.243 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -0.364  -0.866  -2.519  0.00  0.00    -0.476 OA
ATOM     22  H   LIG    1       -0.470  -1.606  -3.151  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   9  19
BRANCH   7  23
ATOM     23  O   LIG    1        2.801  -1.109  -0.087  0.00  0.00    -0.453 OA
BRANCH  23  24
ATOM     24  C   LIG    1        4.082  -0.618  -0.157  0.00  0.00    +0.132 A 
ATOM     25  C   LIG    1        5.085  -1.378   0.445  0.00  0.00    +0.091 A 
ATOM     26  C   LIG    1        6.402  -0.936   0.377  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        6.728   0.239  -0.292  0.00  0.00    +0.045 A 
ATOM     28  C   LIG    1        5.725   0.984  -0.914  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        4.400   0.551  -0.855  0.00  0.00    +0.046 A 
BRANCH  26  30
ATOM     30  O   LIG    1        7.417  -1.637   0.959  0.00  0.00    -0.507 OA
ATOM     31  H   LIG    1        7.047  -2.441   1.360  0.00  0.00    +0.292 HD
ENDBRANCH  26  30
ENDBRANCH  23  24
ENDBRANCH   7  23
TORSDOF 7